Molecule

ID:113254

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₄
Molecular Mass
272.25608
Exact Mass
272.07970687
Charge
0
InChI
InChI=1S/C14H12N2O4/c1-2-19-11(17)7-16-8-15-12-9-5-3-4-6-10(9)20-13(12)14(16)18/h3-6,8H,2,7H2,1H3
InChIKey
XFCDCMOHPWFCFI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1cnc2c(c1=O)oc1c2cccc1
Isomeric Smiles
c12c(ncn(c1=O)CC(=O)OCC)c1c(o2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0082235
LogD (pH = 7.4)
1.0082277
Log P
1.0082277
Molar Refractivity
72.117
Polarizability
27.531044
Polar Surface Area
72.11
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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