Molecule

ID:25635

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c1-10-7-11(2)16-12(8-10)13(17(20)21)9-15(19-16)14-5-3-4-6-18-14/h3-9H,1-2H3,(H,20,21)
InChIKey
TZORFOZZBMQHCM-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1ccccn1)C(=O)O
Isomeric Smiles
n1c2c(c(cc1c1ncccc1)C(=O)O)cc(cc2C)C
Calculated Properties
JChem
Acid pKa
3.6962922
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1082551
LogD (pH = 7.4)
0.66939217
Log P
3.612368
Molar Refractivity
79.5532
Polarizability
32.914047
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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