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

Formula:C28H20N3O4IS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
MolecularFormula	C28H20N3O4IS
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O
InChI	InChI=1S/C28H20IN3O4S/c29-24-11-5-4-10-23(24)28(35)36-21-14-12-19(13-15-21)18-30-32-27(34)25(17-22-9-6-16-37-22)31-26(33)20-7-2-1-3-8-20/h1-18H,(H,31,33)(H,32,34)
InChIK	FLJRGPHUNCLEDG-UHFFFAOYSA-N
TotalMolweight	621.45
Molweight	621.45
MonoisotopicMass	621.021925
CLogP	6.5525
CLogS	-7.962
H Acceptors	7
H Donors	2
TotalSurfaceArea	410.4
Relative PSA	0.25319
PolarSurfaceArea	125.1
Druglikeness	7.7492
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Amides	1
StereoCon

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1 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate

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