(E)-3-(5-bromofuran-2-yl)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C19H8N2O3Br2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-bromofuran-2-yl)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(5-bromofuran-2-yl)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H8N2O3Br2S
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\c(o1)ccc1Br
InChI	InChI=1S/C19H8Br2N2O3S/c20-12-1-3-16-10(5-12)7-14(19(24)26-16)15-9-27-18(23-15)11(8-22)6-13-2-4-17(21)25-13/h1-7,9H
InChIK	QLULFTIUOZZAOD-UHFFFAOYSA-N
TotalMolweight	504.158
Molweight	504.158
MonoisotopicMass	501.862235
CLogP	4.0462
CLogS	-5.507
H Acceptors	5
TotalSurfaceArea	299.81
Relative PSA	0.27364
PolarSurfaceArea	104.36
Druglikeness	-3.711
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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