Molecule

ID:50101

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-9-6-11(7-13)4-5-12(9)14-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKey
SBXZSQKWZCMHSS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)C)OCC1CC1
Isomeric Smiles
c1(c(OCC2CC2)ccc(c1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8220756
LogD (pH = 7.4)
2.8220756
Log P
2.8220756
Molar Refractivity
56.0884
Polarizability
21.298214
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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