Molecule

ID:116976

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-2-9-5-6(4-8)3-7(9)10/h6H,2-5,8H2,1H3
InChIKey
IOGQMMMEYZCTCM-UHFFFAOYSA-N
Canonic Smiles
NCC1CC(=O)N(C1)CC
Isomeric Smiles
N1(C(=O)CC(C1)CN)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.144674
LogD (pH = 7.4)
-3.4203444
Log P
-1.1361561
Molar Refractivity
39.8622
Polarizability
15.631624
Polar Surface Area
46.33
Rotatable Bonds
2
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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