UCSF

ZINC01677207

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 No

Popular Name: 1-Nitro-3-(4-nitrophenoxy)benzene 1-Nitro-3-(4-nitrophenoxy)benzene

Find On: PubMed — Wikipedia — Google

CAS Number: 2914-72-9

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) 3.58 2.88 -11.44 0 7 0 100 260.205 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0477853A1; US4042603; US5221798 IBM Patent Data

Activity (Go SEA)

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