Molecule

ID:25628

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c1-10-6-11(2)16-13(7-10)14(17(20)21)8-15(19-16)12-4-3-5-18-9-12/h3-9H,1-2H3,(H,20,21)
InChIKey
KIJPOQKRYWRVMI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1cccnc1)C(=O)O
Isomeric Smiles
n1c2c(c(cc1c1cnccc1)C(=O)O)cc(cc2C)C
Calculated Properties
JChem
Acid pKa
3.5066247
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8190943
LogD (pH = 7.4)
0.32944015
Log P
2.7789366
Molar Refractivity
79.9252
Polarizability
32.908985
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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