Molecule

ID:35137

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈N₂O₄
Molecular Mass
268.22432
Exact Mass
268.04840675
Charge
0
InChI
InChI=1S/C14H8N2O4/c17-12-9-5-4-8(14(19)20)7-10(9)13(18)16(12)11-3-1-2-6-15-11/h1-7H,(H,19,20)
InChIKey
LNWAYWWOYHEHJX-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2ccccn2)C(=O)c2c1cc(cc2)C(=O)O
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccc(c2)C(=O)O)c1ncccc1
Calculated Properties
JChem
Acid pKa
3.4888
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.39633116
LogD (pH = 7.4)
-1.7702748
Log P
1.6094255
Molar Refractivity
69.4019
Polarizability
25.5963
Polar Surface Area
87.57
Rotatable Bonds
2
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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