UCSF

ZINC03129697

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 23 No

Popular Name: 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-dimethyl-2-oxo-1-ethanaminium bromide 2-(4-chlorophenyl)-N-[2-(4-chlor…

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CAS Number: 241127-29-7

Other Names:

MFCD00221596

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) 0.02 3.93 -50.96 0 3 1 34 351.253 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 196 KeyOrganics

Activity (Go SEA)

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