Molecule

ID:111851

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O
Molecular Mass
160.21238
Exact Mass
160.088815
Charge
0
InChI
InChI=1S/C11H12O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7H,2-4H2,1H3
InChIKey
FPOGGJAFMWYNLI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)CCCC2=O
Isomeric Smiles
Cc1cc2c(cc1)C(=O)CCC2
Calculated Properties
JChem
Acid pKa
16.838976
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7945461
LogD (pH = 7.4)
2.7945461
Log P
2.7945461
Molar Refractivity
49.3679
Polarizability
18.790333
Polar Surface Area
17.07
Rotatable Bonds
0
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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