Molecule

ID:20491

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8H,3,6-7,12H2,1-2H3
InChIKey
YCJTZOMCLVBCJG-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(c(c1)C)N
Isomeric Smiles
c1(c(ccc(c1)OCCOCC)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7165083
LogD (pH = 7.4)
1.8085909
Log P
1.8099024
Molar Refractivity
58.0549
Polarizability
21.964718
Polar Surface Area
44.48
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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