Molecule

ID:24463

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-4-9-8(11)5-6-10-7(2)3/h7,10H,4-6H2,1-3H3,(H,9,11)
InChIKey
DQAKKAWSELSMOD-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)CCNC(C)C
Isomeric Smiles
C(=O)(CCNC(C)C)NCC
Calculated Properties
JChem
Acid pKa
16.494957
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1365066
LogD (pH = 7.4)
-2.2736087
Log P
0.06904196
Molar Refractivity
46.1123
Polarizability
18.198185
Polar Surface Area
41.13
Rotatable Bonds
5
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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