UCSF

ZINC00157168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 4-Amino-3-chlorobenzonitrile 4-Amino-3-chlorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21803-75-8 , [21803-75-8]

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) 1.78 3.35 -5.69 2 2 0 50 152.584 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 - 102 Enamine Building Blocks
MP 100-102° Matrix Scientific
MP 100-103° Oakwood Chemical
MP 100...102 Enamine Building Blocks
MP 102 - 104 Enamine Building Blocks
MP 104 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Melting_Point 98-104? Alfa-Aesar
Melting_Point 98-104° Alfa-Aesar
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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

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