Molecule

ID:56002

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-2-14-10-6-5-9(12)8-4-3-7-13-11(8)10/h3-7H,2,12H2,1H3
InChIKey
BPAUMUIICJTMEP-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(c2c1nccc2)N
Isomeric Smiles
c12c(nccc2)c(ccc1N)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4890771
LogD (pH = 7.4)
1.5009575
Log P
1.5011111
Molar Refractivity
55.8915
Polarizability
22.476036
Polar Surface Area
48.14
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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