Molecule

ID:116941

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂
Molecular Mass
216.322
Exact Mass
216.16264865
Charge
0
InChI
InChI=1S/C14H20N2/c1-11-4-2-3-5-13(11)14-10-16(9-8-15-14)12-6-7-12/h2-5,12,14-15H,6-10H2,1H3
InChIKey
MMXKCDKDRSLJLT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1C1NCCN(C1)C1CC1
Isomeric Smiles
N1(C2CC2)CC(c2c(C)cccc2)NCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.73008406
LogD (pH = 7.4)
0.87486285
Log P
2.417467
Molar Refractivity
67.2787
Polarizability
26.622839
Polar Surface Area
15.27
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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