Molecule

ID:56280

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-13-10-5-2-4-9-8-12-6-3-7-14-11(9)10/h2,4-5,12H,3,6-8H2,1H3
InChIKey
HXTYUGLBGRVXSD-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1OCCCNC2
Isomeric Smiles
c1c2c(c(cc1)OC)OCCCNC2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9505597
LogD (pH = 7.4)
-0.5071391
Log P
1.1046869
Molar Refractivity
55.1288
Polarizability
21.681358
Polar Surface Area
30.49
Rotatable Bonds
1
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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