Molecule

ID:60202

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O
Molecular Mass
212.33176
Exact Mass
212.1888634
Charge
0
InChI
InChI=1S/C12H24N2O/c13-11-12(5-3-1-2-4-6-12)14-7-9-15-10-8-14/h1-11,13H2
InChIKey
ZPRFTDXBLRVQJG-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCCC1)N1CCOCC1
Isomeric Smiles
N1(C2(CN)CCCCCC2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7308204
LogD (pH = 7.4)
-0.7589172
Log P
1.3422931
Molar Refractivity
62.5172
Polarizability
25.1236
Polar Surface Area
38.49
Rotatable Bonds
2
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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