UCSF

ZINC06321332

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 16 No

Popular Name: N-(2-Chloro-5-nitrophenyl)-2-cyanoacetamide N-(2-Chloro-5-nitrophenyl)-2-cya…

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CAS Numbers: , 544669-15-0

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 5.17 -21.07 1 6 0 99 239.618 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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