Molecule

ID:8545

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O
Molecular Mass
160.21238
Exact Mass
160.088815
Charge
0
InChI
InChI=1S/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
MVEBDOSCXOQNAR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)C1CCC1
Isomeric Smiles
O=C(C1CCC1)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.108936
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7552583
LogD (pH = 7.4)
2.7552583
Log P
2.7552583
Molar Refractivity
48.461
Polarizability
18.87234
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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