Molecule
ID:67012
General Information
Molecular Formula
C₇H₁₁NO₂
Molecular Mass
141.16774
Exact Mass
141.0789786
Charge
0
InChI
InChI=1S/C7H11NO2/c1-2-5-4-8-7(10)3-6(5)9/h5H,2-4H2,1H3,(H,8,10)
InChIKey
BIPNFYPMYSWIGH-UHFFFAOYSA-N
Canonic Smiles
CCC1CNC(=O)CC1=O
Isomeric Smiles
N1C(=O)CC(=O)C(C1)CC
Calculated Properties
JChem
Acid pKa
10.217678
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3411301
LogD (pH = 7.4)
0.34047848
Log P
0.34113842
Molar Refractivity
36.5736
Polarizability
14.211085
Polar Surface Area
46.17
Rotatable Bonds
1
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
No Data Available
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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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