Molecule

ID:24436

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-11(14-10-6-9-13-2)12-7-4-3-5-8-12/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3
InChIKey
DHBKWWXNNZRTKC-UHFFFAOYSA-N
Canonic Smiles
CNCCCNC(c1ccccc1)C
Isomeric Smiles
c1(C(NCCCNC)C)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.1787887
LogD (pH = 7.4)
-2.1247132
Log P
1.643726
Molar Refractivity
61.3146
Polarizability
24.497461
Polar Surface Area
24.06
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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