Molecule

ID:69441

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey
RUSCTNYOPQOXDJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1CC(=O)O)C
Isomeric Smiles
C(=O)(Cc1c(ccc(c1)C)C)O
Calculated Properties
JChem
Acid pKa
4.805502
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8640436
LogD (pH = 7.4)
0.08995916
Log P
2.637837
Molar Refractivity
47.448
Polarizability
18.044783
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
No Data Available
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Molecule Details
References
Bioactivity
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