Molecule

ID:77091

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-6(10)9-7-2-4-8-5-3-7/h7-8H,2-5H2,1H3,(H,9,10)
InChIKey
YLWUSMHZABTZGP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC1CCNCC1
Isomeric Smiles
N1CCC(NC(=O)C)CC1
Calculated Properties
JChem
Acid pKa
16.1516
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.3830576
LogD (pH = 7.4)
-3.698752
Log P
-1.1628541
Molar Refractivity
39.519
Polarizability
15.631624
Polar Surface Area
41.13
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
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Molecule Details
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References
Bioactivity
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