Molecule

ID:120250

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₃
Molecular Mass
232.23528
Exact Mass
232.08479225
Charge
0
InChI
InChI=1S/C12H12N2O3/c15-11-10-2-1-5-14(10)9-4-3-7(12(16)17)6-8(9)13-11/h3-4,6,10H,1-2,5H2,(H,13,15)(H,16,17)
InChIKey
ILCIRRSQEUVMSA-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2cc(ccc2N2C1CCC2)C(=O)O
Isomeric Smiles
N12c3c(NC(=O)C1CCC2)cc(C(=O)O)cc3
Calculated Properties
JChem
Acid pKa
4.545676
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.2967461
LogD (pH = 7.4)
-1.4760219
Log P
1.2956657
Molar Refractivity
63.333
Polarizability
22.79461
Polar Surface Area
69.64
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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