UCSF

ZINC00388157

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 2-Chloro-6-methylbenzonitrile 2-Chloro-6-methylbenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6575-09-3 , 6575-11-7 , 9/3/6575 12:00:00 AM , [6575-09-3]

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) 2.72 2.53 -6.54 0 1 0 24 151.596 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 143?/38mm Alfa-Aesar
Boiling_Point 143°/38mm Alfa-Aesar
Melting_Point 79-83? Alfa-Aesar
Melting_Point 79-83° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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

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