Molecule

ID:36937

General Information
Structure
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-8-4-3-6(5-8)7(9)10-2/h6H,3-5H2,1-2H3
InChIKey
ZWWOGQHZGYEOFM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(C1)C
Isomeric Smiles
N1(CCC(C1)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-3.0301025
LogD (pH = 7.4)
-1.3951374
Log P
0.12051296
Molar Refractivity
38.3841
Polarizability
15.197755
Polar Surface Area
29.54
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
No Data Available
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Molecule Details
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References
Bioactivity
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