Molecule

ID:89076

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₂
Molecular Mass
141.16774
Exact Mass
141.0789786
Charge
0
InChI
InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3
InChIKey
NNFOVLFUGLWWCL-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)C(=O)C
Isomeric Smiles
N1(CCC(=O)CC1)C(=O)C
Calculated Properties
JChem
Acid pKa
18.70856
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.5999729
LogD (pH = 7.4)
-0.59997284
Log P
-0.59997284
Molar Refractivity
36.7347
Polarizability
14.211085
Polar Surface Area
37.38
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
References
Bioactivity
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