UCSF

ZINC04052621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 18 No

Popular Name: N-(2-chlorobenzyl)-2-nitroaniline N-(2-chlorobenzyl)-2-nitroaniline

Find On: PubMed — Wikipedia — Google

CAS Number: 126991-21-7

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) 3.73 8.46 -8.93 1 4 0 58 262.696 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 116 - 118 KeyOrganics

Activity (Go SEA)

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