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

Formula:C22H10N2O2BrF3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
MolecularFormula	C22H10N2O2BrF3S
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C22H10BrF3N2O2S/c23-15-5-6-19-13(8-15)9-16(21(29)30-19)18-11-31-20(28-18)14(10-27)7-12-3-1-2-4-17(12)22(24,25)26/h1-9,11H
InChIK	VIOXQPUPWUYJFW-UHFFFAOYSA-N
TotalMolweight	503.297
Molweight	503.297
MonoisotopicMass	501.959843
CLogP	4.8832
CLogS	-6.006
H Acceptors	4
TotalSurfaceArea	320.95
Relative PSA	0.21165
PolarSurfaceArea	91.22
Druglikeness	-10.267
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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