Molecule

ID:16631

General Information
Structure
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-2-14(10-6-9-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11,13H2,1H3
InChIKey
VBARFWGILFILHY-UHFFFAOYSA-N
Canonic Smiles
NCCCN(Cc1ccccc1)CC
Isomeric Smiles
c1(CN(CCCN)CC)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.389013
LogD (pH = 7.4)
-2.2347944
Log P
1.5344265
Molar Refractivity
62.1645
Polarizability
24.497894
Polar Surface Area
29.26
Rotatable Bonds
6
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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