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

Formula:C21H10N3O4BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)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-nitrophenyl)prop-2-enenitrile
MolecularFormula	C21H10N3O4BrS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C21H10BrN3O4S/c22-15-3-6-19-13(8-15)9-17(21(26)29-19)18-11-30-20(24-18)14(10-23)7-12-1-4-16(5-2-12)25(27)28/h1-9,11H
InChIK	KEUCAJUUVKPPEV-UHFFFAOYSA-N
TotalMolweight	480.297
Molweight	480.297
MonoisotopicMass	478.957538
CLogP	3.1133
CLogS	-5.688
H Acceptors	7
TotalSurfaceArea	315.16
Relative PSA	0.31206
PolarSurfaceArea	137.04
Druglikeness	-8.0723
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
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	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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