Molecule

ID:13225

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-12-4-2-5-13(8-12)9-16-11-14-6-3-7-15-10-14/h2-8,10,16H,9,11H2,1H3
InChIKey
MSSMWYIHERFESM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CNCc1cccnc1
Isomeric Smiles
c1cncc(c1)CNCc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.37645277
LogD (pH = 7.4)
1.222759
Log P
2.5518167
Molar Refractivity
66.8029
Polarizability
26.051767
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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