UCSF

ZINC13658212

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 16 Yes

Popular Name: 5,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-one 5,6,7,8,9,10-Hexahydro-cyclohept…

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CAS Numbers: 5220-39-3 , [5220-39-3]

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) 2.55 7.23 -14.17 1 2 0 33 213.28 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 335° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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