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

Formula:C18H9N2Cl2IS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-iodophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-iodophenyl)prop-2-enenitrile
MolecularFormula	C18H9N2Cl2IS
Smiles	N#C/C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)=C\c(cccc1)c1I
InChI	InChI=1S/C18H9Cl2IN2S/c19-13-5-6-14(15(20)8-13)17-10-24-18(23-17)12(9-22)7-11-3-1-2-4-16(11)21/h1-8,10H
InChIK	PMCDKCGIMBAXQN-UHFFFAOYSA-N
TotalMolweight	483.155
Molweight	483.155
MonoisotopicMass	481.89082
CLogP	5.562
CLogS	-6.925
H Acceptors	2
TotalSurfaceArea	291.02
Relative PSA	0.15425
PolarSurfaceArea	64.92
Druglikeness	-1.0915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Aromatic Nitrogens	1
StereoCon

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

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