UCSF

ZINC05670930

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 15 No

Popular Name: 3-(chloromethyl)-5-(3,4-dichlorophenyl)isoxazole 3-(chloromethyl)-5-(3,4-dichloro…

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CAS Number: 338776-97-9

Other Names:

MFCD01444078

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) 4.44 1.83 -5.41 0 2 0 26 262.523 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 117 - 119 KeyOrganics

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