Molecule

ID:83989

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₄
Molecular Mass
250.25056
Exact Mass
250.09535694
Charge
0
InChI
InChI=1S/C12H14N2O4/c1-7(15)13-10-5-4-9(12(17)18-3)6-11(10)14-8(2)16/h4-6H,1-3H3,(H,13,15)(H,14,16)
InChIKey
HGBVBCIDBDCXPQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)NC(=O)C)NC(=O)C
Isomeric Smiles
N(c1cc(ccc1NC(=O)C)C(=O)OC)C(=O)C
Calculated Properties
JChem
Acid pKa
12.380394
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.45214346
LogD (pH = 7.4)
0.4521392
Log P
0.45214352
Molar Refractivity
67.8093
Polarizability
24.5743
Polar Surface Area
84.5
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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