[2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Formula:C23H18N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
MolecularFormula	C23H18N2O5S
Smiles	[O-][N+](c1ccc(/C=C/C(OCC(Nc(cccc2)c2Sc2ccccc2)=O)=O)cc1)=O
InChI	InChI=1S/C23H18N2O5S/c26-22(16-30-23(27)15-12-17-10-13-18(14-11-17)25(28)29)24-20-8-4-5-9-21(20)31-19-6-2-1-3-7-19/h1-15H,16H2,(H,24,26)
InChIK	JEFGEZJOFYEATI-UHFFFAOYSA-N
TotalMolweight	434.471
Molweight	434.471
MonoisotopicMass	434.093643
CLogP	3.5937
CLogS	-5.647
H Acceptors	7
H Donors	1
TotalSurfaceArea	331.16
Relative PSA	0.28823
PolarSurfaceArea	126.52
Druglikeness	-4.5172
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate | 2 - [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

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