Molecule

ID:25225

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-14(2)10-6-9-13-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKey
YRZNCMFHFHBVMC-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCc1ccccc1)C
Isomeric Smiles
N(CCCNCc1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0377693
LogD (pH = 7.4)
-1.5936579
Log P
1.6101989
Molar Refractivity
62.1905
Polarizability
24.497929
Polar Surface Area
15.27
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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