UCSF

ZINC04904923

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 21 No

Popular Name: 2-[(3-Methoxybenzyl)amino]-5-nitrobenzonitrile 2-[(3-Methoxybenzyl)amino]-5-nit…

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CAS Numbers: , 849620-21-9

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) 2.87 1.72 -11.89 1 6 0 90 283.287 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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