UCSF

ZINC01562018

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 No

Popular Name: 3,5-Dinitroaniline 3,5-Dinitroaniline

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CAS Number: 618-85-9

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) 2.23 2.56 -7.97 0 6 0 91 182.135 2 ↓

Vendor Notes

Note Type Comments Provided By
M.P 48.1-48.5 C Indofine

Activity (Go SEA)

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