Molecule

ID:10753

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChIKey
QENJZWZWAWWESF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C(=O)O)c(cc1C)C
Isomeric Smiles
c1(c(cc(c(c1)C(=O)O)C)C)C
Calculated Properties
JChem
Acid pKa
4.1435227
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7988186
LogD (pH = 7.4)
0.10001551
Log P
3.171093
Molar Refractivity
48.4378
Polarizability
17.943022
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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