Molecule

ID:16873

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-2-10(13-4-1)7-11-6-9-3-5-12-8-9/h3,5,8,10-11H,1-2,4,6-7H2
InChIKey
WBDDEGSGJCEMOY-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1cocc1
Isomeric Smiles
c1(CNCC2CCCO2)ccoc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7779378
LogD (pH = 7.4)
-0.13837588
Log P
1.0904292
Molar Refractivity
50.0741
Polarizability
19.728537
Polar Surface Area
34.4
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
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Molecule Details
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References
Bioactivity
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