Molecule

ID:87295

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O₄
Molecular Mass
289.2866
Exact Mass
289.10625598
Charge
0
InChI
InChI=1S/C14H15N3O4/c1-20-13(18)11-7-15-12(17-11)8-16-14(19)21-9-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,15,17)(H,16,19)
InChIKey
IVNFONIYJVHJGE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc([nH]1)CNC(=O)OCc1ccccc1
Isomeric Smiles
[nH]1c(ncc1C(=O)OC)CNC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
7.5717974
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1231205
LogD (pH = 7.4)
0.95044243
Log P
1.1397996
Molar Refractivity
74.396
Polarizability
28.647242
Polar Surface Area
93.31
Rotatable Bonds
7
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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