Molecule

ID:52632

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₂
Molecular Mass
183.24748
Exact Mass
183.12592879
Charge
0
InChI
InChI=1S/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8-
InChIKey
MSOQKPXSIHLODG-HJWRWDBZSA-N
Canonic Smiles
CCOC(=O)/C=C(\N1CCCC1)/C
Isomeric Smiles
C1CCN(C1)/C(=C\C(=O)OCC)/C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.5765093
LogD (pH = 7.4)
1.0253654
Log P
1.3351544
Molar Refractivity
53.8737
Polarizability
20.081154
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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