Molecule

ID:123739

General Information
Structure
Molecular Formula
C₆H₁₄N₂O
Molecular Mass
130.18816
Exact Mass
130.11061308
Charge
0
InChI
InChI=1S/C6H14N2O/c1-5(2)4-8-6(9)3-7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKey
RRSSLJCGIBNHIW-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NCC(C)C
Isomeric Smiles
C(=O)(NCC(C)C)CN
Calculated Properties
JChem
Acid pKa
16.171251
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.9794855
LogD (pH = 7.4)
-1.2963235
Log P
-0.48643893
Molar Refractivity
36.4665
Polarizability
14.517068
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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