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

Formula:C26H17N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-(4-phenacyloxyphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-(4-phenacyloxyphenyl)prop-2-enenitrile
MolecularFormula	C26H17N3O4S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C\c(cc1)ccc1OCC(c1ccccc1)=O
InChI	InChI=1S/C26H17N3O4S/c27-15-21(26-28-24(17-34-26)19-8-10-22(11-9-19)29(31)32)14-18-6-12-23(13-7-18)33-16-25(30)20-4-2-1-3-5-20/h1-14,17H,16H2
InChIK	DDSAYOQBTNWXLA-UHFFFAOYSA-N
TotalMolweight	467.504
Molweight	467.504
MonoisotopicMass	467.093977
CLogP	3.8812
CLogS	-6.531
H Acceptors	7
TotalSurfaceArea	358.84
Relative PSA	0.27408
PolarSurfaceArea	137.04
Druglikeness	-6.0116
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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