UCSF

ZINC00517429

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 12 Yes

Popular Name: 2-Methyl-octahydro-quinolin-4-one 2-Methyl-octahydro-quinolin-4-one

Find On: PubMed — Wikipedia — Google

CAS Number: 41854-83-5

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) 1.50 4.51 -43.39 2 2 1 34 168.26 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 108°/2Torr Matrix Scientific
MP 127-128° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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