Molecule

ID:77280

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,11H,5-7H2
InChIKey
KDLVSGWUKFJFTL-UHFFFAOYSA-N
Canonic Smiles
OCC1CCc2c(O1)cccc2
Isomeric Smiles
O1c2ccccc2CCC1CO
Calculated Properties
JChem
Acid pKa
14.658322
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6696968
LogD (pH = 7.4)
1.6696968
Log P
1.6696968
Molar Refractivity
46.3943
Polarizability
18.181398
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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