UCSF

ZINC36879228

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 Yes

Popular Name: 1-(2-chlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid 1-(2-chlorophenyl)-5-(propan-2-y…

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CAS Number: 1154372-69-6

Other Names:

MFCD12106503

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) 2.40 8.36 -63.34 0 5 -1 71 264.692 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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