Molecule

ID:85281

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-2-9-5-3-7(8-10)4-6-9/h10H,2-6H2,1H3
InChIKey
IIQOVJQOSPDVCT-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC(=NO)CC1
Isomeric Smiles
N1(CCC(=NO)CC1)CC
Calculated Properties
JChem
Acid pKa
11.725369
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.717325
LogD (pH = 7.4)
-1.1840303
Log P
0.53942055
Molar Refractivity
41.0338
Polarizability
15.840032
Polar Surface Area
35.83
Rotatable Bonds
1
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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