Molecule

ID:25940

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKey
KPLIYWNHNIPFQR-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1C=O
Isomeric Smiles
c1(c(OCCCCC)cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2965446
LogD (pH = 7.4)
3.2965446
Log P
3.2965446
Molar Refractivity
57.5798
Polarizability
22.109388
Polar Surface Area
26.3
Rotatable Bonds
6
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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