Molecule

ID:116494

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-5(2)9-4-6(8)3-7(9)10/h5-6H,3-4,8H2,1-2H3
InChIKey
GJVWZPJQVNYMHB-UHFFFAOYSA-N
Canonic Smiles
CC(N1CC(CC1=O)N)C
Isomeric Smiles
N1(C(=O)CC(C1)N)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5613887
LogD (pH = 7.4)
-2.4145086
Log P
-0.6084282
Molar Refractivity
39.187
Polarizability
15.631624
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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