Molecule

ID:52832

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-14-9-4-3-7-8(12)5-6-13-10(7)11(9)15-2/h3-6H,1-2H3,(H2,12,13)
InChIKey
SYTHKTKWSHBYKQ-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccc2c1nccc2N
Isomeric Smiles
c1c(c(c2c(c1)c(ccn2)N)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.15252337
LogD (pH = 7.4)
0.83929884
Log P
0.986632
Molar Refractivity
57.6061
Polarizability
23.11768
Polar Surface Area
57.37
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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