UCSF

ZINC00173455

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 3-(2-nitrophenyl)-3-oxopropanenitrile 3-(2-nitrophenyl)-3-oxopropaneni…

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CAS Number: 40017-83-2

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) 0.83 5.94 -15.92 0 5 0 87 190.158 3 ↓

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