Molecule

ID:42680

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O
Molecular Mass
212.33176
Exact Mass
212.1888634
Charge
0
InChI
InChI=1S/C12H24N2O/c1-2-3-4-5-10-6-8-11(9-7-10)12(15)14-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKey
MBWRHUSKMKZTLJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCC1CCC(CC1)C(=O)NN
Isomeric Smiles
C(=O)(C1CCC(CC1)CCCCC)NN
Calculated Properties
JChem
Acid pKa
13.22995
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8495166
LogD (pH = 7.4)
2.8519995
Log P
2.852032
Molar Refractivity
63.1048
Polarizability
24.737497
Polar Surface Area
55.12
Rotatable Bonds
5
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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