Molecule

ID:14809

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-12-4-6-13(7-5-12)9-16-11-14-3-2-8-15-10-14/h2-8,10,16H,9,11H2,1H3
InChIKey
NCFWHXTURHVAOO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CNCc1cccnc1
Isomeric Smiles
c1(ccc(cc1)C)CNCc1cccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.38286898
LogD (pH = 7.4)
1.2109562
Log P
2.5518167
Molar Refractivity
66.8029
Polarizability
26.05173
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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