Molecule

ID:17333

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h6-8H,2-5H2,1H3
InChIKey
MGPYTUGHWZINMT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2CCCCc2cc1OC
Isomeric Smiles
c12c(cc(c(c1)C=O)OC)CCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9803312
LogD (pH = 7.4)
2.9803312
Log P
2.9803312
Molar Refractivity
56.5874
Polarizability
21.219906
Polar Surface Area
26.3
Rotatable Bonds
2
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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