UCSF

ZINC00331963

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 Yes

Popular Name: 2-(2-Cyanophenyl)acetic acid 2-(2-Cyanophenyl)acetic acid

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CAS Numbers: 18698-99-2 , 68906-21-8 , [18698-99-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 5.15 -51.63 0 3 -1 64 160.152 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Boiling_Point n.d. Squarix

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.