Molecule

ID:124003

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈N₂O₄
Molecular Mass
268.22432
Exact Mass
268.04840675
Charge
0
InChI
InChI=1S/C14H8N2O4/c17-12-10-4-3-8(14(19)20)6-11(10)13(18)16(12)9-2-1-5-15-7-9/h1-7H,(H,19,20)
InChIKey
GBXDDZNYIUMDCM-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2cccnc2)C(=O)c2c1cc(cc2)C(=O)O
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccc(c2)C(=O)O)c1cnccc1
Calculated Properties
JChem
Acid pKa
3.375377
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.92116
LogD (pH = 7.4)
-2.3384843
Log P
0.19901915
Molar Refractivity
69.0884
Polarizability
25.592852
Polar Surface Area
87.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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