Molecule

ID:91141

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10,14H2
InChIKey
ZOBQXWFQMOJTJF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1NCc1ccccc1
Isomeric Smiles
Nc1c(cccc1)NCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.304317
LogD (pH = 7.4)
2.3410814
Log P
2.341571
Molar Refractivity
65.5648
Polarizability
24.092615
Polar Surface Area
38.05
Rotatable Bonds
3
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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