Molecule
ID:33166
General Information
Molecular Formula
C₉H₁₅NO₂
Molecular Mass
169.2209
Exact Mass
169.11027873
Charge
0
InChI
InChI=1S/C9H15NO2/c1-2-3-9(12)10-6-4-8(11)5-7-10/h2-7H2,1H3
InChIKey
BMYPHGUYQSUCGQ-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)N1CCC(=O)CC1
Isomeric Smiles
N1(C(=O)CCC)CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
18.676432
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.54513156
LogD (pH = 7.4)
0.5451316
Log P
0.5451316
Molar Refractivity
45.9626
Polarizability
17.874617
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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