Molecule

ID:89358

General Information
Structure
Molecular Formula
C₁₂H₁₂N₂O₃
Molecular Mass
232.23528
Exact Mass
232.08479225
Charge
0
InChI
InChI=1S/C12H12N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h3-7,9H,1-2H3
InChIKey
UGFMJBRXTRUGJC-UHFFFAOYSA-N
Canonic Smiles
CN1C(=O)C(c2ccccc2)C(=O)N(C1=O)C
Isomeric Smiles
N1(C(=O)C(c2ccccc2)C(=O)N(C1=O)C)C
Calculated Properties
JChem
Acid pKa
5.1639595
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.3529218
LogD (pH = 7.4)
-1.3405807
Log P
0.8530993
Molar Refractivity
60.4377
Polarizability
23.175705
Polar Surface Area
57.69
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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