UCSF

ZINC00275598

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 20 Yes

Popular Name: Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzyl)-amine Benzo[1,3]dioxol-5-ylmethyl-(4-m…

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CAS Number: 436099-74-0

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) 2.84 -0.63 -53.32 2 4 1 44 272.324 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 146-247° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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