Molecule
ID:15438
General Information
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-6H,1-3H3
InChIKey
SNIGEINPLSDHBQ-UHFFFAOYSA-N
Canonic Smiles
COc1c(C)cc(cc1C)C=O
Isomeric Smiles
c1(c(cc(cc1C)C=O)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5549197
LogD (pH = 7.4)
2.5549197
Log P
2.5549197
Molar Refractivity
49.1876
Polarizability
18.26698
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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