Molecule

ID:24480

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-3-5-9-6-4-7(10)8-2/h3,9H,1,4-6H2,2H3,(H,8,10)
InChIKey
CAURCZHPUOUUSR-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCNCC=C
Isomeric Smiles
C(=O)(CCNCC=C)NC
Calculated Properties
JChem
Acid pKa
16.490767
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3931348
LogD (pH = 7.4)
-1.9639035
Log P
-0.32989916
Molar Refractivity
41.359
Polarizability
16.115206
Polar Surface Area
41.13
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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