UCSF

ZINC01723508

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 Yes

Popular Name: Benzoic acid, 2-[(2-cyanoethyl)amino]- (9CI) Benzoic acid, 2-[(2-cyanoethyl)a…

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CAS Number: 62985-18-6

Other Names:

MFCD00029923

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) 1.30 4.47 -49.26 1 4 -1 76 189.194 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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