UCSF

ZINC04992636

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 19 No

Popular Name: 4-(Benzo[1,3]dioxol-5-ylmethoxy)-benzaldehyde 4-(Benzo[1,3]dioxol-5-ylmethoxy)…

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CAS Number: 161192-30-9

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) 3.27 6.18 -11 0 4 0 45 256.257 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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