UCSF

ZINC03276798

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 19 No

Popular Name: 2-(3-Chloro-phenyl)-4H-isoquinoline-1,3-dione 2-(3-Chloro-phenyl)-4H-isoquinol…

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CAS Number: 22367-12-0

Other Names:

MFCD03966867

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) 3.04 8.31 -11.78 0 3 0 37 271.703 1 ↓

Vendor Notes

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

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