Molecule

ID:119610

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉NO₄
Molecular Mass
267.23626
Exact Mass
267.05315777
Charge
0
InChI
InChI=1S/C15H9NO4/c16-12-10(15(19)20)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2,(H,19,20)
InChIKey
MMKNBFSDCOALQO-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=O)c2c1c(N)c(cc2)C(=O)O
Isomeric Smiles
c12C(=O)c3c(C(=O)c1ccc(c2N)C(=O)O)cccc3
Calculated Properties
JChem
Acid pKa
4.214791
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.7403497
LogD (pH = 7.4)
0.022422776
Log P
3.047363
Molar Refractivity
73.1076
Polarizability
26.793638
Polar Surface Area
97.46
Rotatable Bonds
1
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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