Molecule

ID:123740

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h7H,1-6,9H2,(H,10,11)
InChIKey
MQLOXQXPTSLRTG-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NC1CCCCC1
Isomeric Smiles
C(=O)(NC1CCCCC1)CN
Calculated Properties
JChem
Acid pKa
15.912793
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4242935
LogD (pH = 7.4)
-0.74109024
Log P
0.06852843
Molar Refractivity
43.7365
Polarizability
17.470844
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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