UCSF

ZINC01729255

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: 3-(3-Chloro-phenylamino)-propionitrile 3-(3-Chloro-phenylamino)-propion…

Find On: PubMed — Wikipedia — Google

CAS Number: 54475-92-2

Other Names:

MFCD00229047

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) 1.91 5.11 -8.45 1 2 0 36 180.638 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 141 - 143 Enamine Building Blocks
MP 141...143 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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