Molecule

ID:83500

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-9(2)11(12(13)14-3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey
YUOZTXHDHOQARN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=C(C)C)c1ccccc1
Isomeric Smiles
O=C(C(=C(C)C)c1ccccc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2102587
LogD (pH = 7.4)
3.2102587
Log P
3.2102587
Molar Refractivity
56.4681
Polarizability
21.971748
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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