UCSF

ZINC36677071

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 Yes

Popular Name: 2-methyl-3-(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)propanenitrile 2-methyl-3-(2-oxo-1,2,3,4-tetrah…

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CAS Number: 1099685-16-1

Other Names:

MFCD11552215

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) 1.73 7.35 -8.21 0 3 0 44 214.268 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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