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

Formula:C26H16N3O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C26H16N3O4FS
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\c(cc1)ccc1OCC(c(cc1)ccc1F)=O
InChI	InChI=1S/C26H16FN3O4S/c27-21-8-6-18(7-9-21)25(31)15-34-23-10-4-17(5-11-23)12-20(14-28)26-29-24(16-35-26)19-2-1-3-22(13-19)30(32)33/h1-13,16H,15H2
InChIK	HPHRLQXYLRJETR-UHFFFAOYSA-N
TotalMolweight	485.494
Molweight	485.494
MonoisotopicMass	485.084555
CLogP	3.982
CLogS	-6.845
H Acceptors	7
TotalSurfaceArea	365.19
Relative PSA	0.26931
PolarSurfaceArea	137.04
Druglikeness	-7.3516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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