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

Formula:C21H10N3BrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H10N3BrCl2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c(cc(cc(cc1)Br)c1n1)c1Cl
InChI	InChI=1S/C21H10BrCl2N3S/c22-16-3-6-18-13(9-16)7-14(20(24)26-18)8-15(10-25)21-27-19(11-28-21)12-1-4-17(23)5-2-12/h1-9,11H
InChIK	YSHCFEIEYKAXFN-UHFFFAOYSA-N
TotalMolweight	487.207
Molweight	487.207
MonoisotopicMass	484.915582
CLogP	6.2635
CLogS	-7.212
H Acceptors	3
TotalSurfaceArea	316.73
Relative PSA	0.17636
PolarSurfaceArea	77.81
Druglikeness	-3.3918
Mutagenic	none
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	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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