[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate

Formula:C28H20N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate
MolecularFormula	C28H20N4O6S
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c2cccs2)=O)c1OC(c1ccccc1)=O)=O
InChI	InChI=1S/C28H20N4O6S/c33-26(19-8-3-1-4-9-19)30-24(17-23-12-7-15-39-23)27(34)31-29-18-21-16-22(32(36)37)13-14-25(21)38-28(35)20-10-5-2-6-11-20/h1-18H,(H,30,33)(H,31,34)
InChIK	ULXSAYRYPYRBCM-UHFFFAOYSA-N
TotalMolweight	540.555
Molweight	540.555
MonoisotopicMass	540.110356
CLogP	5.1938
CLogS	-7.406
H Acceptors	10
H Donors	2
TotalSurfaceArea	407.79
Relative PSA	0.32941
PolarSurfaceArea	170.92
Druglikeness	2.3784
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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