Molecule

ID:89641

General Information
Structure
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9H,5-8,12H2
InChIKey
CLGPZXHLRKSEDD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OC1CCOCC1
Isomeric Smiles
Nc1c(cccc1)OC1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9181734
LogD (pH = 7.4)
0.94744825
Log P
0.9478347
Molar Refractivity
55.6971
Polarizability
21.315542
Polar Surface Area
44.48
Rotatable Bonds
2
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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