Molecule

ID:52642

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-5-3-8-4-6(5)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKey
KXYSKSUNLWRSFW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CNCC1C
Isomeric Smiles
N1CC(C(C1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.127482
LogD (pH = 7.4)
-2.6288111
Log P
0.102437854
Molar Refractivity
37.561
Polarizability
15.197755
Polar Surface Area
38.33
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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