Molecule

ID:70360

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3
InChIKey
VWMVAQHMFFZQGD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1ccc(cc1)O
Isomeric Smiles
C(C(=O)C)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.498536
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6370109
LogD (pH = 7.4)
1.6336267
Log P
1.6370543
Molar Refractivity
42.8976
Polarizability
16.523817
Polar Surface Area
37.3
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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