Molecule

ID:13208

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-2-12(8-15-5-1)9-16-7-11-3-4-13-14(6-11)18-10-17-13/h1-6,8,16H,7,9-10H2
InChIKey
TYELHXLKHZMZPI-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)CNCc1ccc2c(c1)OCO2
Isomeric Smiles
c1(cc2c(cc1)OCO2)CNCc1cnccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0998211
LogD (pH = 7.4)
0.59289074
Log P
1.6616288
Molar Refractivity
67.5286
Polarizability
26.68801
Polar Surface Area
43.38
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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