Molecule

ID:62020

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-3,5,7,11H,4,6H2,1H3
InChIKey
OFKLNIJKLDJVRR-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc2c(c1)CC(O2)C
Isomeric Smiles
O1c2c(CC1C)cc(cc2)CO
Calculated Properties
JChem
Acid pKa
15.0397625
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5046883
LogD (pH = 7.4)
1.5046883
Log P
1.5046883
Molar Refractivity
47.0655
Polarizability
18.173367
Polar Surface Area
29.46
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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