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

Formula:C21H11N2O2BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
MolecularFormula	C21H11N2O2BrS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\c1ccccc1
InChI	InChI=1S/C21H11BrN2O2S/c22-16-6-7-19-14(9-16)10-17(21(25)26-19)18-12-27-20(24-18)15(11-23)8-13-4-2-1-3-5-13/h1-10,12H
InChIK	PKNZXNJCYPFRRM-UHFFFAOYSA-N
TotalMolweight	435.3
Molweight	435.3
MonoisotopicMass	433.972459
CLogP	4.0349
CLogS	-5.228
H Acceptors	4
TotalSurfaceArea	291.49
Relative PSA	0.23304
PolarSurfaceArea	91.22
Druglikeness	-3.0767
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
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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