Molecule

ID:136608

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
150.17066903
Exact Mass
150.14639217
Charge
0
InChI
InChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
BGRWYRAHAFMIBJ-IDEBNGHGSA-N
Canonic Smiles
[13CH3][13CH](NC(=O)N[13CH]([13CH3])[13CH3])[13CH3]
Isomeric Smiles
[13CH3][13CH]([13CH3])NC(=O)N[13CH]([13CH3])[13CH3]
Calculated Properties
JChem
Acid pKa
15.659614
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.63028413
LogD (pH = 7.4)
0.63028425
Log P
0.63028425
Molar Refractivity
41.2708
Polarizability
15.970419
Polar Surface Area
41.13
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
References
Bioactivity
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