Molecule

ID:31079

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-10-12(14(17)18)5-2-6-13(10)16-9-11-4-3-7-15-8-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKey
NGXRKJYCGOTLFE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1C)NCc1cccnc1
Isomeric Smiles
c1(c(c(NCc2cnccc2)ccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.444241
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1732088
LogD (pH = 7.4)
-0.52845764
Log P
1.4383826
Molar Refractivity
71.0049
Polarizability
26.08954
Polar Surface Area
62.22
Rotatable Bonds
4
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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