UCSF

ZINC00143533

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 9 Yes

Popular Name: 3-n-Propyl-2-pyrazolin-5-one 3-n-Propyl-2-pyrazolin-5-one

Find On: PubMed — Wikipedia — Google

CAS Number: 29211-70-9

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) 1.52 -1.43 -6.6 2 3 0 49 126.159 2 ↓
Mid Mid (pH 6-8) 1.52 -0.65 -52.38 1 3 -1 52 125.151 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 206-210? Alfa-Aesar
Melting_Point 206-210° Alfa-Aesar

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