UCSF

ZINC01754404

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 No

Popular Name: 3,4-(Methylenedioxy)benzylideneacetone 3,4-(Methylenedioxy)benzylidenea…

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CAS Number: 3160-37-0

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) 2.10 1.21 -9.36 0 3 0 36 190.198 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 108-110? Alfa-Aesar
Melting_Point 108-110° Alfa-Aesar
M.P 108-110°C Indofine

Activity (Go SEA)

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