Molecule

ID:87704

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c1-8-4-2-6(7-9)3-5-8/h9H,2-5H2,1H3
InChIKey
PMWKIHOURGCZOJ-UHFFFAOYSA-N
Canonic Smiles
ON=C1CCN(CC1)C
Isomeric Smiles
N1(CCC(=NO)CC1)C
Calculated Properties
JChem
Acid pKa
11.675793
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9319048
LogD (pH = 7.4)
-1.2727487
Log P
0.18261258
Molar Refractivity
36.2852
Polarizability
14.000937
Polar Surface Area
35.83
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
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References
Bioactivity
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