Molecule

ID:47774

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11,15H2,1H3
InChIKey
IHDXFVHLQONBFX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N(Cc1ccccc1)C
Isomeric Smiles
N(c1ccc(N)cc1)(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.306596
LogD (pH = 7.4)
2.9569373
Log P
2.976837
Molar Refractivity
69.7996
Polarizability
25.937069
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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