UCSF

ZINC03882773

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 Yes

Popular Name: 3-(hydroxymethyl)-1-methylquinolin-2(1H)-one 3-(hydroxymethyl)-1-methylquinol…

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CAS Numbers: 114561-15-8 , [114561-15-8]

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) 0.94 2.8 -9.61 1 3 0 42 189.214 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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