Molecule

ID:121320

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₃
Molecular Mass
236.26704
Exact Mass
236.11609238
Charge
0
InChI
InChI=1S/C12H16N2O3/c1-8(2)13-12(16)14-10-6-4-5-9(7-10)11(15)17-3/h4-8H,1-3H3,(H2,13,14,16)
InChIKey
YUYPALCKTCGZCE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)NC(=O)NC(C)C
Isomeric Smiles
C(=O)(Nc1cc(C(=O)OC)ccc1)NC(C)C
Calculated Properties
JChem
Acid pKa
13.135938
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8779466
LogD (pH = 7.4)
1.8779459
Log P
1.8779466
Molar Refractivity
65.6871
Polarizability
24.466497
Polar Surface Area
67.43
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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