UCSF

ZINC04101101

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 Yes

Popular Name: 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one 1,3,4,5-Tetrahydro-2H-1-benzazep…

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CAS Numbers: 4424-80-0 , [4424-80-0]

Download: MOL2 SDF SMILES Flexibase

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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) 1.90 4.63 -6.55 1 2 0 29 161.204 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
MP 137 - 139 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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