Molecule

ID:90024

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂
Molecular Mass
216.322
Exact Mass
216.16264865
Charge
0
InChI
InChI=1S/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)
InChIKey
RJRKURJUHLRUPD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1nc2c([nH]1)cccc2
Isomeric Smiles
n1c(CCCCCCC)[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
12.552445
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6158762
LogD (pH = 7.4)
4.2816124
Log P
4.305948
Molar Refractivity
67.0411
Polarizability
27.547178
Polar Surface Area
28.68
Rotatable Bonds
6
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
No Data Available
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Molecule Details
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References
Bioactivity
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