Molecule
ID:61154
General Information
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c13-10-8-5-1-3-7-4-2-6-12(9(7)8)11(10)14/h1,3,5H,2,4,6H2
InChIKey
KNEFHXSZIJKTPK-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cccc3c2N(C1=O)CCC3
Isomeric Smiles
N12C(=O)C(=O)c3c1c(CCC2)ccc3
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3000668
LogD (pH = 7.4)
1.3000668
Log P
1.3000668
Molar Refractivity
51.5015
Polarizability
19.325966
Polar Surface Area
37.38
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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