Molecule

ID:13410

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14/h2-9,15H,10-11H2,1H3
InChIKey
IBTJBQKFYIHFEV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CNCc1ccccn1
Isomeric Smiles
c1ccnc(c1)CNCc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24553755
LogD (pH = 7.4)
1.9749197
Log P
2.6332886
Molar Refractivity
66.2807
Polarizability
26.052608
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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