Molecule

ID:58156

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-13-8-7-12-9-10-3-5-11(14-2)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKey
RXQJAXYUATYDOM-UHFFFAOYSA-N
Canonic Smiles
COCCNCc1ccc(cc1)OC
Isomeric Smiles
c1c(ccc(c1)CNCCOC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7273729
LogD (pH = 7.4)
-0.2823572
Log P
1.3269479
Molar Refractivity
56.8127
Polarizability
22.427645
Polar Surface Area
30.49
Rotatable Bonds
6
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
References
Bioactivity
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