Molecule
ID:58119
General Information
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-15-12(14)10-5-4-6-11(9-10)13-7-2-3-8-13/h2-9H,1H3
InChIKey
AORPZPNEEGITMY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)n1cccc1
Isomeric Smiles
c1(cc(ccc1)C(=O)OC)n1cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7094
LogD (pH = 7.4)
2.7094
Log P
2.7094
Molar Refractivity
67.8357
Polarizability
22.733448
Polar Surface Area
31.23
Rotatable Bonds
3
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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