Molecule

ID:67144

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-6-4-9(11)7(2)3-8(6)5-10/h3-5,11H,1-2H3
InChIKey
XLIMLVMYIYSMIQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C)c(cc1C)O
Isomeric Smiles
C(=O)c1c(cc(c(c1)C)O)C
Calculated Properties
JChem
Acid pKa
7.7777324
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4067545
LogD (pH = 7.4)
2.258138
Log P
2.4090257
Molar Refractivity
44.7053
Polarizability
16.353321
Polar Surface Area
37.3
Rotatable Bonds
1
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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