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

Formula:C18H9N3Cl4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,3-dichloroanilino)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2,3-dichloroanilino)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H9N3Cl4S
Smiles	N#C/C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)=C\Nc1cccc(Cl)c1Cl
InChI	InChI=1S/C18H9Cl4N3S/c19-11-4-5-12(14(21)6-11)16-9-26-18(25-16)10(7-23)8-24-15-3-1-2-13(20)17(15)22/h1-6,8-9,24H
InChIK	YHTXKWYMZBMAII-UHFFFAOYSA-N
TotalMolweight	441.168
Molweight	441.168
MonoisotopicMass	438.927125
CLogP	5.5076
CLogS	-7.327
H Acceptors	3
H Donors	1
TotalSurfaceArea	307.04
Relative PSA	0.18353
PolarSurfaceArea	76.95
Druglikeness	-1.6292
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Aromatic Nitrogens	1
StereoCon

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

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