Molecule

ID:89411

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O
Molecular Mass
202.29212
Exact Mass
202.1357652
Charge
0
InChI
InChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKey
MSDQNIRGPBARGC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)C1CCCCC1
Isomeric Smiles
O=C(c1ccc(cc1)C1CCCCC1)C
Calculated Properties
JChem
Acid pKa
16.207565
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6458826
LogD (pH = 7.4)
3.6458826
Log P
3.6458826
Molar Refractivity
62.6524
Polarizability
24.32899
Polar Surface Area
17.07
Rotatable Bonds
2
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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