Molecule

ID:50099

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-3-12-10-5-4-9(7-11)6-8(10)2/h4-7H,3H2,1-2H3
InChIKey
UVANZOOMCRABQD-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1C)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3983061
LogD (pH = 7.4)
2.3983061
Log P
2.3983061
Molar Refractivity
48.895
Polarizability
18.343292
Polar Surface Area
26.3
Rotatable Bonds
3
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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