[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-fluorobenzoate

Formula:C28H18N3O4Br2FS Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-fluorobenzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-fluorobenzoate
MolecularFormula	C28H18N3O4Br2FS
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O
InChI	InChI=1S/C28H18Br2FN3O4S/c29-20-12-19(25(23(30)14-20)38-28(37)18-8-4-9-21(31)13-18)16-32-34-27(36)24(15-22-10-5-11-39-22)33-26(35)17-6-2-1-3-7-17/h1-16H,(H,33,35)(H,34,36)
InChIK	AWNISFMLTOFHNJ-UHFFFAOYSA-N
TotalMolweight	671.34
Molweight	671.34
MonoisotopicMass	668.936877
CLogP	7.6666
CLogS	-8.928
H Acceptors	7
H Donors	2
TotalSurfaceArea	427.73
Relative PSA	0.24293
PolarSurfaceArea	125.1
Druglikeness	4.2522
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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1 - [2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-fluorobenzoate | 2 - [2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-fluorobenzoate

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