Molecule

ID:80226

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O
Molecular Mass
168.23614
Exact Mass
168.12626314
Charge
0
InChI
InChI=1S/C9H16N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H2
InChIKey
HPTQKSXAQBHFKL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)N1CCCC1
Isomeric Smiles
N1(CCCC1)C(=O)N1CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.3424652
LogD (pH = 7.4)
0.34246534
Log P
0.34246534
Molar Refractivity
47.8114
Polarizability
18.200504
Polar Surface Area
23.55
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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