Molecule

ID:89350

General Information
Structure
Molecular Formula
C₁₂H₁₄N₂O₃
Molecular Mass
234.25116
Exact Mass
234.10044232
Charge
0
InChI
InChI=1S/C12H14N2O3/c1-2-17-11-10(15)13-12(16)14(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,15,16)
InChIKey
FUQZCDCFSMSNBP-UHFFFAOYSA-N
Canonic Smiles
CCOC1C(=O)NC(=O)N1Cc1ccccc1
Isomeric Smiles
N1C(=O)N(Cc2ccccc2)C(C1=O)OCC
Calculated Properties
JChem
Acid pKa
8.547862
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2087392
LogD (pH = 7.4)
1.1796278
Log P
1.2091235
Molar Refractivity
61.2536
Polarizability
23.787325
Polar Surface Area
58.64
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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