(2E)-4-(6-bromo-2-oxochromen-3-yl)-N-(4-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide

Formula:C20H10N4O2BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:low (2E)-4-(6-bromo-2-oxochromen-3-yl)-N-(4-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2E)-4-(6-bromo-2-oxochromen-3-yl)-N-(4-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C20H10N4O2BrClS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=N\Nc(cc1)ccc1Cl
InChI	InChI=1S/C20H10BrClN4O2S/c21-12-1-6-18-11(7-12)8-15(20(27)28-18)17-10-29-19(24-17)16(9-23)26-25-14-4-2-13(22)3-5-14/h1-8,10,25H
InChIK	YLSJSQJVYLAJMG-UHFFFAOYSA-N
TotalMolweight	485.748
Molweight	485.748
MonoisotopicMass	483.939634
CLogP	5.3327
CLogS	-5.992
H Acceptors	6
H Donors	1
TotalSurfaceArea	316.63
Relative PSA	0.28709
PolarSurfaceArea	115.61
Druglikeness	-1.8267
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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