Molecule

ID:42436

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-14-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,12H2,1H3
InChIKey
LKSVZBCORDEARF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)N)n1cccc1
Isomeric Smiles
n1(c2c(cc(cc2)OC)N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9222709
LogD (pH = 7.4)
1.9478313
Log P
1.9481672
Molar Refractivity
66.974
Polarizability
21.979742
Polar Surface Area
40.18
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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