Molecule
ID:24376
General Information
Molecular Formula
C₆H₁₄N₂O
Molecular Mass
130.18816
Exact Mass
130.11061308
Charge
0
InChI
InChI=1S/C6H14N2O/c1-5(2)8-4-3-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)
InChIKey
ONMUOFLRUZMXGF-UHFFFAOYSA-N
Canonic Smiles
CC(NCCC(=O)N)C
Isomeric Smiles
C(=O)(CCNC(C)C)N
Calculated Properties
JChem
Acid pKa
16.975552
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7170188
LogD (pH = 7.4)
-2.854398
Log P
-0.51144207
Molar Refractivity
36.467
Polarizability
14.517068
Polar Surface Area
55.12
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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