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

Formula:C22H11N2OCl3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C22H11N2OCl3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChI	InChI=1S/C22H11Cl3N2OS/c23-16-3-1-13(2-4-16)20-12-29-22(27-20)15(11-26)9-19-5-6-21(28-19)14-7-17(24)10-18(25)8-14/h1-10,12H
InChIK	ZLMYJDBJVZOQIE-UHFFFAOYSA-N
TotalMolweight	457.767
Molweight	457.767
MonoisotopicMass	455.965764
CLogP	6.6698
CLogS	-8.105
H Acceptors	3
TotalSurfaceArea	329.61
Relative PSA	0.179
PolarSurfaceArea	78.06
Druglikeness	-0.65757
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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