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

Formula:C21H10N3O2Br2FS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromo-2-fluoroanilino)-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-(4-bromo-2-fluoroanilino)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H10N3O2Br2FS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\Nc(ccc(Br)c1)c1F
InChI	InChI=1S/C21H10Br2FN3O2S/c22-13-2-4-19-11(5-13)6-15(21(28)29-19)18-10-30-20(27-18)12(8-25)9-26-17-3-1-14(23)7-16(17)24/h1-7,9-10,26H
InChIK	FXJJXILXMCTDIE-UHFFFAOYSA-N
TotalMolweight	547.201
Molweight	547.201
MonoisotopicMass	544.884447
CLogP	4.0316
CLogS	-6.322
H Acceptors	5
H Donors	1
TotalSurfaceArea	327.93
Relative PSA	0.24209
PolarSurfaceArea	103.25
Druglikeness	-4.2487
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
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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1 - (E)-3-(4-bromo-2-fluoroanilino)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(4-bromo-2-fluoroanilino)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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