Molecule

ID:15212

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-12(14-7-3-2-4-8-14)16-11-13-6-5-9-15-10-13/h2-10,12,16H,11H2,1H3
InChIKey
QEPYRJGFVSHVHM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NCc1cccnc1
Isomeric Smiles
c1(C(NCc2cccnc2)C)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.50000864
LogD (pH = 7.4)
1.0755385
Log P
2.4549704
Molar Refractivity
66.1805
Polarizability
26.13275
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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