Molecule

ID:19502

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₃
Molecular Mass
211.25758
Exact Mass
211.12084341
Charge
0
InChI
InChI=1S/C11H17NO3/c1-13-6-7-14-8-9-15-11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3
InChIKey
LOFIXVODFAGRSJ-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOc1ccccc1N
Isomeric Smiles
c1(c(OCCOCCOC)cccc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8673305
LogD (pH = 7.4)
0.89236873
Log P
0.8926976
Molar Refractivity
59.3086
Polarizability
22.743513
Polar Surface Area
53.71
Rotatable Bonds
7
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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