UCSF

ZINC14629002

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 16 Yes

Popular Name: 2-(2,4,5-Trimethylphenyl)azepane 2-(2,4,5-Trimethylphenyl)azepane

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CAS Number: 946714-02-9

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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) 3.39 8.53 -35.52 2 1 1 17 218.364 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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