Molecule

ID:45855

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₂
Molecular Mass
169.2209
Exact Mass
169.11027873
Charge
0
InChI
InChI=1S/C9H15NO2/c11-9(7-3-1-2-4-7)12-8-5-10-6-8/h7-8,10H,1-6H2
InChIKey
VEAXGKRNRSXBSC-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCC1)OC1CNC1
Isomeric Smiles
C(=O)(OC1CNC1)C1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5975497
LogD (pH = 7.4)
0.108570956
Log P
1.1153206
Molar Refractivity
44.4396
Polarizability
18.148947
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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