Molecule

ID:28449

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-6(10)9-4-2-7(8)3-5-9/h7H,2-5,8H2,1H3
InChIKey
NLHBHVGPMMXWIM-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.389585
LogD (pH = 7.4)
-3.8206515
Log P
-1.3717583
Molar Refractivity
39.6411
Polarizability
15.631624
Polar Surface Area
46.33
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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