UCSF

ZINC08730345

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 16 Yes

Popular Name: 3-Chloro-4-(3-chlorophenoxy)aniline 3-Chloro-4-(3-chlorophenoxy)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 84865-99-6

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) 4.03 -0.48 -5.34 2 2 0 35 254.116 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0790986A1; EP0790986B1; US5821246; WO1996015118A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.