Molecule

ID:112073

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O
Molecular Mass
176.25484
Exact Mass
176.12011513
Charge
0
InChI
InChI=1S/C12H16O/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-10H,2-5H2,1H3
InChIKey
NQVZPRUSNWNSQH-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)C=O
Isomeric Smiles
CCCCCc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9774442
LogD (pH = 7.4)
3.9774442
Log P
3.9774442
Molar Refractivity
56.0872
Polarizability
21.377762
Polar Surface Area
17.07
Rotatable Bonds
5
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
References
Bioactivity
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