Molecule
ID:25203
General Information
Molecular Formula
C₁₂H₁₂N₂O₃
Molecular Mass
232.23528
Exact Mass
232.08479225
Charge
0
InChI
InChI=1S/C12H12N2O3/c13-7-8(15)5-6-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4H,5-7,13H2
InChIKey
FXCLAQZFGSZHMU-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCC(=O)CN
Calculated Properties
JChem
Acid pKa
16.951305
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9580523
LogD (pH = 7.4)
-0.33447623
Log P
0.037590828
Molar Refractivity
61.9063
Polarizability
23.1338
Polar Surface Area
80.47
Rotatable Bonds
4
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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