[2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] benzoate

Formula:C31H21N3O6Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] benzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] benzoate
MolecularFormula	C31H21N3O6Br2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O
InChI	InChI=1S/C31H21Br2N3O6/c32-23-15-22(28(24(33)16-23)42-31(39)21-9-5-2-6-10-21)17-34-36-30(38)25(35-29(37)20-7-3-1-4-8-20)13-19-11-12-26-27(14-19)41-18-40-26/h1-17H,18H2,(H,35,37)(H,36,38)
InChIK	DBGSJDWPYBTDJP-UHFFFAOYSA-N
TotalMolweight	691.331
Molweight	691.331
MonoisotopicMass	688.979709
CLogP	7.8106
CLogS	-9.315
H Acceptors	9
H Donors	2
TotalSurfaceArea	445.7
Relative PSA	0.23233
PolarSurfaceArea	115.32
Druglikeness	4.3154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.45238
Fragments	1
Non HAtoms	42
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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1 - [2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] benzoate | 2 - [2-[(Z)-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] benzoate

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