Molecule

ID:75347

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3
InChIKey
YNPDFBFVMJNGKZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(=O)C)O
Isomeric Smiles
O=C(c1c(ccc(c1)C)O)C
Calculated Properties
JChem
Acid pKa
9.497182
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.390706
LogD (pH = 7.4)
2.3873148
Log P
2.3907495
Molar Refractivity
43.4829
Polarizability
16.429838
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
No Data Available
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Molecule Details
References
Bioactivity
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