Molecule

ID:45835

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c10-8(6-2-1-3-6)11-7-4-9-5-7/h6-7,9H,1-5H2
InChIKey
VIKHMUWNQWOUFE-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)OC1CNC1
Isomeric Smiles
C(=O)(OC1CNC1)C1CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0421183
LogD (pH = 7.4)
-0.3359977
Log P
0.6707519
Molar Refractivity
39.8386
Polarizability
16.31348
Polar Surface Area
38.33
Rotatable Bonds
3
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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