3-(2,5-dichlorophenyl)sulfonyl-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine

Formula:C22H14N6O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-(2,5-dichlorophenyl)sulfonyl-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.

MolName	3-(2,5-dichlorophenyl)sulfonyl-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
MolecularFormula	C22H14N6O2Cl2S
Smiles	Nc(n(c1nc2ccccc2nc11)/N=C\c2ccncc2)c1S(c(cc(cc1)Cl)c1Cl)(=O)=O
InChI	InChI=1S/C22H14Cl2N6O2S/c23-14-5-6-15(24)18(11-14)33(31,32)20-19-22(29-17-4-2-1-3-16(17)28-19)30(21(20)25)27-12-13-7-9-26-10-8-13/h1-12H,25H2
InChIK	ITEULJYHWPYOFA-UHFFFAOYSA-N
TotalMolweight	497.365
Molweight	497.365
MonoisotopicMass	496.027598
CLogP	3.9312
CLogS	-9.245
H Acceptors	8
H Donors	1
TotalSurfaceArea	340.16
Relative PSA	0.27969
PolarSurfaceArea	124.5
Druglikeness	3.6995
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.42424
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	3
Aromatic Nitrogens	4
StereoCon

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