Molecule

ID:61734

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-6H,7-8,10-12H2
InChIKey
GGCMXNUEQZLZHX-UHFFFAOYSA-N
Canonic Smiles
N#C/C=C/1\CCN(CC1)Cc1ccccc1
Isomeric Smiles
N#C/C=C\1/CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.22515555
LogD (pH = 7.4)
1.5478132
Log P
2.355136
Molar Refractivity
67.3637
Polarizability
25.49241
Polar Surface Area
27.03
Rotatable Bonds
2
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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