Molecule

ID:30396

General Information
Structure
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2
InChIKey
UGGCQMVKRPFZEA-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)CNCc1ccc2c(c1)OCO2
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCc1ccncc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1614728
LogD (pH = 7.4)
0.5042481
Log P
1.6616288
Molar Refractivity
67.5286
Polarizability
26.687756
Polar Surface Area
43.38
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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