Molecule

ID:77716

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-14-11(13)12(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey
XGGOKJRFMJCJLR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(CCC1)c1ccccc1
Isomeric Smiles
O=C(C1(c2ccccc2)CCC1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8367314
LogD (pH = 7.4)
2.8367314
Log P
2.8367314
Molar Refractivity
54.009
Polarizability
21.409077
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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