Molecule

ID:15913

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c14-13-7-2-1-5-11(13)8-9-12-6-3-4-10-15-12/h1-7,10H,8-9,14H2
InChIKey
KDAOXFXGTWSXIF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1CCc1ccccn1
Isomeric Smiles
c1cnc(cc1)CCc1c(cccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9974631
LogD (pH = 7.4)
2.330445
Log P
2.336926
Molar Refractivity
62.5159
Polarizability
23.727854
Polar Surface Area
38.91
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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