UCSF

ZINC11919413

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 11 Yes

Popular Name: 2-Amino-3-methoxybenzonitrile 2-Amino-3-methoxybenzonitrile

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CAS Numbers: 148932-68-7 , [148932-68-7]

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) 1.14 2.17 -5.52 2 3 0 59 148.165 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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