UCSF

ZINC13545367

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 Yes

Popular Name: N-(2,4-dichlorophenyl)-1H-1,2,4-triazol-5-amine N-(2,4-dichlorophenyl)-1H-1,2,4-…

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CAS Number: 477851-94-8

Other Names:

MFCD00139325

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) 2.99 8.26 -4.63 2 4 0 54 229.07 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 193 - 195 KeyOrganics

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Rings

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

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