Molecule

ID:35787

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-10-5-11(2)7-13(6-10)18-9-17-14-8-12(16(19)20)3-4-15(14)18/h3-9H,1-2H3,(H,19,20)
InChIKey
USXZQTYGSRMWQJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)cc(c1)n1cnc2c1ccc(c2)C(=O)O
Isomeric Smiles
n1(cnc2c1ccc(C(=O)O)c2)c1cc(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
2.3197694
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5883833
LogD (pH = 7.4)
0.13186587
Log P
1.8525329
Molar Refractivity
87.3007
Polarizability
30.798304
Polar Surface Area
55.12
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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