Molecule

ID:90030

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₄
Molecular Mass
272.25608
Exact Mass
272.07970687
Charge
0
InChI
InChI=1S/C14H12N2O4/c1-19-13(17)11-3-9(5-15-7-11)10-4-12(8-16-6-10)14(18)20-2/h3-8H,1-2H3
InChIKey
FHLQRZZILYBCDV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cncc(c1)c1cncc(c1)C(=O)OC
Isomeric Smiles
n1cc(cc(c1)C(=O)OC)c1cc(cnc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1906586
LogD (pH = 7.4)
1.1920624
Log P
1.1920803
Molar Refractivity
70.931
Polarizability
28.334076
Polar Surface Area
78.38
Rotatable Bonds
5
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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