Molecule
ID:35435
General Information
Molecular Formula
C₆H₁₄N₂O
Molecular Mass
130.18816
Exact Mass
130.11061308
Charge
0
InChI
InChI=1S/C6H14N2O/c1-3-4-8-6(9)5-7-2/h7H,3-5H2,1-2H3,(H,8,9)
InChIKey
MBENNMIHCNYUJD-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)CNC
Isomeric Smiles
C(=O)(NCCC)CNC
Calculated Properties
JChem
Acid pKa
16.178186
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3900173
LogD (pH = 7.4)
-1.8335651
Log P
-0.41883135
Molar Refractivity
36.7695
Polarizability
14.517068
Polar Surface Area
41.13
Rotatable Bonds
4
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
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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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