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

Formula:C21H9N3BrCl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H9N3BrCl3S
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\c(cc(cc(cc1)Br)c1n1)c1Cl
InChI	InChI=1S/C21H9BrCl3N3S/c22-15-2-4-18-12(7-15)5-13(20(25)27-18)6-14(9-26)21-28-19(10-29-21)11-1-3-16(23)17(24)8-11/h1-8,10H
InChIK	OSLCETFDQDPBAE-UHFFFAOYSA-N
TotalMolweight	521.652
Molweight	521.652
MonoisotopicMass	518.876609
CLogP	6.8695
CLogS	-7.948
H Acceptors	3
TotalSurfaceArea	332.15
Relative PSA	0.16818
PolarSurfaceArea	77.81
Druglikeness	-3.3918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	2
StereoCon

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