(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile

Formula:C20H11N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C20H11N3O3S
Smiles	N#C/C(/c1nc(-c2cc(cccc3)c3o2)cs1)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C20H11N3O3S/c21-11-15(9-13-5-7-16(8-6-13)23(24)25)20-22-17(12-27-20)19-10-14-3-1-2-4-18(14)26-19/h1-10,12H
InChIK	HARHRDCQVFUYET-UHFFFAOYSA-N
TotalMolweight	373.391
Molweight	373.391
MonoisotopicMass	373.052112
CLogP	3.5339
CLogS	-5.748
H Acceptors	6
TotalSurfaceArea	281.86
Relative PSA	0.31725
PolarSurfaceArea	123.88
Druglikeness	-6.8002
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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