Molecule

ID:71410

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₂
Molecular Mass
169.2209
Exact Mass
169.11027873
Charge
0
InChI
InChI=1S/C9H15NO2/c1-10(2)9(12)6-7-4-3-5-8(7)11/h7H,3-6H2,1-2H3
InChIKey
SFGBXLSASCFKEG-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC1CC(=O)N(C)C
Isomeric Smiles
C(=O)(CC1C(=O)CCC1)N(C)C
Calculated Properties
JChem
Acid pKa
19.361574
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.35134768
LogD (pH = 7.4)
0.35134828
Log P
0.35134828
Molar Refractivity
46.1029
Polarizability
17.874617
Polar Surface Area
37.38
Rotatable Bonds
2
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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