Molecule

ID:7508

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKey
NJVDYCNYTDOXPX-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(c(c1)OCC)OC
Isomeric Smiles
c1c(c(cc(c1)CCN)OCC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5809172
LogD (pH = 7.4)
-0.87852365
Log P
1.4291409
Molar Refractivity
56.9614
Polarizability
22.336887
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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