Molecule

ID:17281

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8,12H2,1-2H3
InChIKey
KLDARETZOURFAY-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(CN)ccc1OCC
Isomeric Smiles
c1(c(ccc(c1)CN)OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4828676
LogD (pH = 7.4)
-0.48638248
Log P
1.4972876
Molar Refractivity
56.955
Polarizability
22.41212
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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