Molecule

ID:87886

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O
Molecular Mass
130.18816
Exact Mass
130.11061308
Charge
0
InChI
InChI=1S/C6H14N2O/c1-3-4-5-6-8(2)7-9/h3-6H2,1-2H3
InChIKey
KSFCDINBDBFFSI-UHFFFAOYSA-N
Canonic Smiles
CCCCCN(N=O)C
Isomeric Smiles
N(CCCCC)(N=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.81
LogD (pH = 5.5)
1.81
Log P
1.81
Rotatable Bonds
5
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.41
Polar Surface Area
32.67
Polarizability
15.14
Molar Refractivity
38.53
LOG S
-1.82
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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