5-chloro-2-quinoxalinol

Formula:C8H5N2OCl CAS:55687-19-9 ChemrytIQ

PropertyValue
Casrn55687-19-9
MolName5-chloro-2-quinoxalinol
MolecularFormulaC8H5N2OCl
SmilesO=C1Nc2cccc(Cl)c2N=C1
InChIInChI=1S/C8H5ClN2O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-4H,(H,11,12)
InChIKVXHYYFYGIHUVET-UHFFFAOYSA-N
CanonicalSyTyLFy290e81b4ddb1ee1
TotalMolweight180.594
Molweight180.594
MonoisotopicMass180.00904
CLogP0.8091
CLogS-2.534
H Acceptors3
H Donors1
TotalSurfaceArea129.15
Relative PSA0.27882
PolarSurfaceArea41.46
Druglikeness1.405
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.58333
Molecula Flexibility0.14403
Molecular Complexity0.77083
Fragments1
Non HAtoms12
NonCHAtoms4
Electronegative Atoms4
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Amides1
StereoCon
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