Molecule

ID:107263

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₂
Molecular Mass
169.2209
Exact Mass
169.11027873
Charge
0
InChI
InChI=1S/C9H15NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h2-7H2,1H3
InChIKey
NEQDNPLLVJBQNJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCN1C(=O)CCC1=O
Isomeric Smiles
CCCCCN1C(=O)CCC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9986722
LogD (pH = 7.4)
0.9986722
Log P
0.9986722
Molar Refractivity
45.6527
Polarizability
17.874617
Polar Surface Area
37.38
Rotatable Bonds
4
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
References
Bioactivity
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