Molecule
ID:35433
General Information
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
144.21474
Exact Mass
144.12626314
Charge
0
InChI
InChI=1S/C7H16N2O/c1-7(2,3)9-6(10)5-8-4/h8H,5H2,1-4H3,(H,9,10)
InChIKey
PKKPXMPHLXGWQN-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)NC(C)(C)C
Isomeric Smiles
C(=O)(NC(C)(C)C)CNC
Calculated Properties
JChem
Acid pKa
16.020956
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.215018
LogD (pH = 7.4)
-1.6581804
Log P
-0.24420206
Molar Refractivity
41.3025
Polarizability
16.35698
Polar Surface Area
41.13
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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