UCSF

ZINC01386969

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 14 Yes

Popular Name: 1-ethyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one 1-ethyl-1,3,4,5-tetrahydro-2H-1-…

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CAS Number: 3649-12-5

Other Names:

MFCD01569086

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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) 1.85 6.86 -6.68 0 2 0 20 189.258 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point Oil KeyOrganics

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Rings

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