Molecule

ID:126296

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
InChIKey
HJXMNVQARNZTEE-UHFFFAOYSA-N
Canonic Smiles
CCCCC1OC(=O)c2c1cccc2
Isomeric Smiles
O=C1OC(c2ccccc12)CCCC
Calculated Properties
JChem
Acid pKa
15.695883
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3561847
LogD (pH = 7.4)
3.3561847
Log P
3.3561847
Molar Refractivity
54.7827
Polarizability
21.376453
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
References
Bioactivity
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