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

Formula:C19H9N2O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-3-(5-bromofuran-2-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(5-bromofuran-2-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H9N2O3BrS
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c(o1)ccc1Br
InChI	InChI=1S/C19H9BrN2O3S/c20-17-6-5-13(24-17)7-12(9-21)18-22-15(10-26-18)14-8-11-3-1-2-4-16(11)25-19(14)23/h1-8,10H
InChIK	MCPNAFRNNZONRH-UHFFFAOYSA-N
TotalMolweight	425.261
Molweight	425.261
MonoisotopicMass	423.951724
CLogP	3.321
CLogS	-4.673
H Acceptors	5
TotalSurfaceArea	281.18
Relative PSA	0.29177
PolarSurfaceArea	104.36
Druglikeness	-3.711
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
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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