Molecule

ID:130297

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey
FDQGNLOWMMVRQL-UHFFFAOYSA-N
Canonic Smiles
C=CCC1(CC=C)C(=O)NC(=O)NC1=O
Isomeric Smiles
O=C1NC(=O)NC(=O)C1(CC=C)CC=C
Calculated Properties
JChem
Acid pKa
8.478343
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.9978051
LogD (pH = 7.4)
0.9638422
Log P
0.9982562
Molar Refractivity
53.5425
Polarizability
20.483736
Polar Surface Area
75.27
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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