WHC is still in active development. Read this to understand our approach.
depiction of WLJVXDMOQOGPHL-UHFFFAOYSA-N.svg
isomerdesign

PAA

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pubchem

Phenylacetic acid

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drugmap

Phenylacetic acid

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Data

InChI: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

Synonyms: Tox21_200533,PROCAINE BENZYLPENICILLIN IMPURITY E [EP IMPURITY],Phenylacetic acid, analytical standard,DL-0063,w-Phenylacetate,Tox21_113042_1,Acetic acid, phenyl-,Phenylacetic acid, 99%, alpha-Toluic acid, PHENYLACETIC ACID,Phenylacetic acid, natural, >=99%, FG, Phenylacetic acid (natural),4-09-00-01614 (Beilstein Handbook Reference),17303-65-0,Tropicamide impurity D (Phenylacetic acid - Drug Precursor), European Pharmacopoeia (EP) Reference Standard,Tox21_113042,PHENYLACETIC ACID,PHENYL ACETIC ACID,bmse000220,Benzeneacetic acid,Phenylacetic acid, plant cell culture tested,BENZYLPENICILLIN SODIUM IMPURITY B [EP IMPURITY], PHENYL-ACETIC ACID,Kyselina fenyloctova,Phenyllacetic acid,w-Phenylacetic acid,Phenylacetic acid,2-phenyl-acetic acid, Kyselina fenyloctova,.omega.-Phenylacetic acid,DB09269,AI3-08920,NSC-139637, Benzenacetic acid,8727557E-AA75-49E9-8E5A-7A2412D71888,Benzenacetic acid, omega-Phenylacetic acid,NCI60_000596,DB-055176,omega-Phenylacetic acid, Benzylformic acid,NSC139637,PHENYLACETIC ACID [FHFI],PHENYL-ACETIC ACID,EINECS 203-148-6,Phenylethanoate,BRN 1099647,DSSTox_RID_76268,NCGC00159477-05,UNII-ER5I1W795A,FT-0701063,Phenyl-[13C6]-acetic acid,STK297835,DSSTox_CID_1656,Phenylacetic acid (natural),NCI60_002571, .omega.-Phenylacetic acid,TROPICAMIDE RELATED COMPOUND D [USP-RS], phenylacetate,PHENYLACETIC ACID [MI],HSDB 5010,omega-Phenylacetate,TROPICAMIDE RELATED COMPOUND D [USP IMPURITY],2-Phenylacetic acid,CHEBI:30745,EC 203-148-6,BP-11383,BENZYLPENICILLIN POTASSIUM IMPURITY B [EP IMPURITY],DTXSID2021656, 2-Phenylacetic acid,organic white solid,ANTINEOPLASTON AS 2-1 COMPONENT PHENYLACETIC ACID,.alpha.-Toluic acid,Phenylethanoic acid,BDBM16419,alpha-Toluic acid,Phenylacetic acid, natural, >=99%,alpha-Toluate,NCGC00258087-01,phenylactic acid,103-82-2,FEMA No. 2878,NSC-125718,DSSTox_GSID_21656,NCGC00159477-03,Benzeneacetiic acid,MFCD00004313,Phenylacetic acid, >=99%, FCC, FG,51146-16-8, Phenyllacetic acid,CAS-103-82-2, Benzylcarboxylic acid, Benzeneacetic acid, PHENYL ACETIC ACID,DB-003759, Kyselina fenyloctova [Czech],PHENYLACETIC ACID [HSDB],TROPICAMIDE IMPURITY D [EP IMPURITY],NSC125718,Phenylessigsaure,ZINC388462,ER5I1W795A,AKOS000291351,SCHEMBL1459,C07086,phenylacetate, Phenylethanoic acid,Benzylcarboxylic acid,Phenylacetic acid_GurudeebanSatyavani,a-Toluate,ASTUGENAL COMPONENT PHENYLACETIC ACID,1173020-54-6,Benzeneacetate,NSC 125718,Epitope ID:116202,Tropicamide Related Compound D, United States Pharmacopeia (USP) Reference Standard,Q410842,CHEMBL1044,ANTINEOPLASTON AS2-1 COMPONENT PHENYLACETIC ACID,Benzylformic acid,PHENYLACETIC ACID [FCC],NCGC00159477-02,Phenylacetic,PAA, Acetic acid, phenyl-,Phenylacetate, XIX,Kyselina fenyloctova [Czech],FT-0641197,a-Toluic acid

Estimated data

Solubility: -1.009 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 58.8% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.