Molecule

ID:45774

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-5(2)7(9)10-6-3-8-4-6/h5-6,8H,3-4H2,1-2H3
InChIKey
NXKPVYKOZOIGBZ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OC1CNC1)C
Isomeric Smiles
C(=O)(OC1CNC1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0229614
LogD (pH = 7.4)
-0.31684068
Log P
0.68990916
Molar Refractivity
37.0398
Polarizability
15.197755
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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