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

Formula:C21H11N3O2BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2-fluoroanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2-fluoroanilino)prop-2-enenitrile
MolecularFormula	C21H11N3O2BrFS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\Nc(cccc1)c1F
InChI	InChI=1S/C21H11BrFN3O2S/c22-14-5-6-19-12(7-14)8-15(21(27)28-19)18-11-29-20(26-18)13(9-24)10-25-17-4-2-1-3-16(17)23/h1-8,10-11,25H
InChIK	BNASFSBRCTXQQQ-UHFFFAOYSA-N
TotalMolweight	468.305
Molweight	468.305
MonoisotopicMass	466.973936
CLogP	3.3064
CLogS	-5.488
H Acceptors	5
H Donors	1
TotalSurfaceArea	309.3
Relative PSA	0.25668
PolarSurfaceArea	103.25
Druglikeness	-4.2487
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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