Molecule

ID:41184

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO₂
Molecular Mass
163.17326
Exact Mass
163.06332853
Charge
0
InChI
InChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)
InChIKey
JSBZPNRRLJLZBE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2NC(=O)COc2cc1
Isomeric Smiles
N1c2c(OCC1=O)ccc(c2)C
Calculated Properties
JChem
Acid pKa
11.632508
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.268035
LogD (pH = 7.4)
1.2680112
Log P
1.2680353
Molar Refractivity
45.8663
Polarizability
16.926756
Polar Surface Area
38.33
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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