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

Formula:C16H8N3O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile
MolecularFormula	C16H8N3O3ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1ccc([N+]([O-])=O)o1
InChI	InChI=1S/C16H8ClN3O3S/c17-12-3-1-10(2-4-12)14-9-24-16(19-14)11(8-18)7-13-5-6-15(23-13)20(21)22/h1-7,9H
InChIK	GLRJEJBMFDVILE-UHFFFAOYSA-N
TotalMolweight	357.777
Molweight	357.777
MonoisotopicMass	356.997489
CLogP	3.1374
CLogS	-5.84
H Acceptors	6
TotalSurfaceArea	262.68
Relative PSA	0.34041
PolarSurfaceArea	123.88
Druglikeness	-4.8533
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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