1-[(Z)-(4-chlorophenyl)methylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine

Formula:C21H14N5O2ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.

MolName	1-[(Z)-(4-chlorophenyl)methylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
MolecularFormula	C21H14N5O2ClS2
Smiles	Nc(n(c1nc2ccccc2nc11)/N=C\c(cc2)ccc2Cl)c1S(c1cccs1)(=O)=O
InChI	InChI=1S/C21H14ClN5O2S2/c22-14-9-7-13(8-10-14)12-24-27-20(23)19(31(28,29)17-6-3-11-30-17)18-21(27)26-16-5-2-1-4-15(16)25-18/h1-12H,23H2
InChIK	HQOUOMHJUYTYJI-UHFFFAOYSA-N
TotalMolweight	467.96
Molweight	467.96
MonoisotopicMass	467.027742
CLogP	4.3152
CLogS	-9.221
H Acceptors	7
H Donors	1
TotalSurfaceArea	321.92
Relative PSA	0.32471
PolarSurfaceArea	139.85
Druglikeness	4.7889
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	3
Aromatic Nitrogens	3
StereoCon

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