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

Formula:C21H10N3Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(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-(2-chloroquinolin-3-yl)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H10N3Cl3S
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\c1cc2ccccc2nc1Cl
InChI	InChI=1S/C21H10Cl3N3S/c22-16-6-5-13(9-17(16)23)19-11-28-21(27-19)15(10-25)8-14-7-12-3-1-2-4-18(12)26-20(14)24/h1-9,11H
InChIK	VCLIYGCIMKDQPK-UHFFFAOYSA-N
TotalMolweight	442.756
Molweight	442.756
MonoisotopicMass	440.966098
CLogP	6.1443
CLogS	-7.114
H Acceptors	3
TotalSurfaceArea	313.52
Relative PSA	0.17817
PolarSurfaceArea	77.81
Druglikeness	-1.6018
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
Aromatic Nitrogens	2
StereoCon

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