UCSF

ZINC22996792

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 22 Yes

Popular Name: 3-chloro-2-{[5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]methyl}-5-(trifluoromethyl)pyridine 3-chloro-2-{[5-methyl-3-(trifluo…

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CAS Number: 1092346-53-6

Other Names:

MFCD11501855

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) 2.86 6.72 -9.24 0 4 0 44 344.646 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 76 - 78 KeyOrganics

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Rings

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

No pre-computed analogs available. Try a structural similarity search.