(E)-3-(2,4-dichlorophenyl)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C22H10N2OCl4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C22H10N2OCl4S
Smiles	N#C/C(/c1nc(-c2ccc(-c(ccc(Cl)c3)c3Cl)o2)cs1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C22H10Cl4N2OS/c23-14-2-1-12(17(25)8-14)7-13(10-27)22-28-19(11-30-22)21-6-5-20(29-21)16-4-3-15(24)9-18(16)26/h1-9,11H
InChIK	GBNSWOMDETXVFM-UHFFFAOYSA-N
TotalMolweight	492.212
Molweight	492.212
MonoisotopicMass	489.926791
CLogP	7.3128
CLogS	-8.509
H Acceptors	3
TotalSurfaceArea	345.03
Relative PSA	0.171
PolarSurfaceArea	78.06
Druglikeness	-0.65757
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-(2,4-dichlorophenyl)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(2,4-dichlorophenyl)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile

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