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

Formula:C21H10N2O2BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enenitrile
MolecularFormula	C21H10N2O2BrFS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\c(cc1)ccc1F
InChI	InChI=1S/C21H10BrFN2O2S/c22-15-3-6-19-13(8-15)9-17(21(26)27-19)18-11-28-20(25-18)14(10-24)7-12-1-4-16(23)5-2-12/h1-9,11H
InChIK	ZOIFESODWBGLFD-UHFFFAOYSA-N
TotalMolweight	453.29
Molweight	453.29
MonoisotopicMass	451.963037
CLogP	4.1357
CLogS	-5.542
H Acceptors	4
TotalSurfaceArea	297.84
Relative PSA	0.22808
PolarSurfaceArea	91.22
Druglikeness	-4.4167
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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