(2E,4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)penta-2,4-dienenitrile

Formula:C18H11N2OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)penta-2,4-dienenitrile is a drug-like molecule.

MolName	(2E,4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)penta-2,4-dienenitrile
MolecularFormula	C18H11N2OClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\C=C\c1ccco1
InChI	InChI=1S/C18H11ClN2OS/c19-15-8-6-13(7-9-15)17-12-23-18(21-17)14(11-20)3-1-4-16-5-2-10-22-16/h1-10,12H
InChIK	HVPSEKSTDHKCNQ-UHFFFAOYSA-N
TotalMolweight	338.817
Molweight	338.817
MonoisotopicMass	338.02806
CLogP	4.3642
CLogS	-5.167
H Acceptors	3
TotalSurfaceArea	265.51
Relative PSA	0.22221
PolarSurfaceArea	78.06
Druglikeness	-1.7579
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - (2E,4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)penta-2,4-dienenitrile | 2 - (2E,4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)penta-2,4-dienenitrile

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