UCSF

ZINC01593302

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 Yes

Popular Name: Ethyl 1-methyl-4-phenylazepane-4-carboxylate Ethyl 1-methyl-4-phenylazepane-4…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6700-56-7 , 77-15-6 , [77-15-6]

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) 2.92 3.04 -37.14 1 3 1 30 262.373 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0098041A2; EP0647448A1; EP0720744A1; EP0737066A1; EP0785775A1; EP0816375A1; EP0984974A1; EP1021204A2; EP1023896A2; EP1041987A1; EP1053238A1; EP1059916A1; US3950422; US4051186; US4231923; US4248855; US4257773; US4263255; US4758433; US5149538; US5446070 IBM Patent Data

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