UCSF

ZINC22010321

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 Yes

Popular Name: 6-Chloro-3,4-dihydroquinolin-2(1H)-one 6-Chloro-3,4-dihydroquinolin-2(1…

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CAS Numbers: 19358-40-8 , [19358-40-8]

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) 2.28 4.19 -6.29 1 2 0 29 181.622 0 ↓
Ref Reference (pH 7) 2.47 1.54 -5.1 1 2 0 33 181.622 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 161 - 163 KeyOrganics
MP 162 - 164 Enamine Building Blocks
MP 162...164 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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