Molecule

ID:19873

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-3-13-6-7-14-11-8-9(2)4-5-10(11)12/h4-5,8H,3,6-7,12H2,1-2H3
InChIKey
FNSWEJGDXGCUMJ-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cc(C)ccc1N
Isomeric Smiles
c1(c(ccc(c1)C)N)OCCOCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.735897
LogD (pH = 7.4)
1.8088868
Log P
1.8099024
Molar Refractivity
58.0549
Polarizability
21.965921
Polar Surface Area
44.48
Rotatable Bonds
5
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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