Molecule

ID:69458

General Information
Structure
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)
InChIKey
BOWUOGIPSRVRSJ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCCCC1N
Isomeric Smiles
C1(=O)C(CCCCN1)N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.74
LogD (pH = 5.5)
-3.35
Log P
-0.67
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.44
Polar Surface Area
55.12
Polarizability
13.83
Molar Refractivity
34.61
LOG S
-0.17
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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