UCSF

ZINC06094003

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 13 No

Popular Name: 1-Propen-1-ol, 3-(1,3-benzodioxol-5-yl)-; 3'-Hydroxy-safrole; 3'-Hydroxysafrole; 3-(1,3-Benzodioxol-5-yl)-1-propen-1-ol; CCRIS 1088; LS-123777 1-Propen-1-ol, 3-(1,3-benzodioxo…

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CAS Number: 30830-55-8

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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) 2.35 -1.13 -16.38 0 3 0 35 178.187 3 ↓

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