Molecule

ID:3186

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
InChIKey
YOMSJEATGXXYPX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=C)ccc1O
Isomeric Smiles
COc1cc(C=C)ccc1O
Calculated Properties
JChem
LogD (pH = 7.4)
2.25
LogD (pH = 5.5)
2.25
Log P
2.25
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.03
Polar Surface Area
29.46
Polarizability
16.04
Molar Refractivity
44.19
LOG S
-2.08
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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