Molecule

ID:13205

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-9,14H,10-11H2
InChIKey
RRLRWANEZGPBAD-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CNCc1ccccn1
Isomeric Smiles
c1cccc(c1)CNCc1ncccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23374918
LogD (pH = 7.4)
1.4920173
Log P
2.1198673
Molar Refractivity
61.2395
Polarizability
24.28708
Polar Surface Area
24.92
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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