Molecule

ID:112517

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O₂
Molecular Mass
152.19038
Exact Mass
152.08372962
Charge
0
InChI
InChI=1S/C9H12O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3
InChIKey
UKFLLQIRBABMKF-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CO
Isomeric Smiles
CCOc1ccc(CO)cc1
Calculated Properties
JChem
Acid pKa
15.02168
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4050328
LogD (pH = 7.4)
1.4050328
Log P
1.4050328
Molar Refractivity
44.0857
Polarizability
17.140024
Polar Surface Area
29.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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