Molecule

ID:68064

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6H,1,3,5H2
InChIKey
JIAKIQWNYAZUJD-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCc2c1nccc2
Isomeric Smiles
n1cccc2CCCC(=O)c12
Calculated Properties
JChem
Acid pKa
15.565287
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4488081
LogD (pH = 7.4)
1.4492964
Log P
1.4493026
Molar Refractivity
41.7978
Polarizability
16.120052
Polar Surface Area
29.96
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
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References
Bioactivity
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