Molecule

ID:25627

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O₂
Molecular Mass
264.27868
Exact Mass
264.08987763
Charge
0
InChI
InChI=1S/C16H12N2O2/c1-10-4-5-14-12(7-10)13(16(19)20)8-15(18-14)11-3-2-6-17-9-11/h2-9H,1H3,(H,19,20)
InChIKey
YVJIAXLVVRQUJP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1cccnc1)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)c1cnccc1)ccc(c2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4917262
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2921963
LogD (pH = 7.4)
-0.18978782
Log P
2.2594721
Molar Refractivity
74.884
Polarizability
31.143602
Polar Surface Area
63.08
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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