Molecule

ID:61579

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c1-2-11-8(10)7-6-3-5(6)4-9-7/h5-7,9H,2-4H2,1H3
InChIKey
QJFZMDWMBRUEMA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1NCC2C1C2
Isomeric Smiles
C12C(C1)CNC2C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5887028
LogD (pH = 7.4)
-0.03810131
Log P
0.22721168
Molar Refractivity
40.122
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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