[2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 1,3-benzodioxole-5-carboxylate

Formula:C25H17N3O8Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C25H17N3O8Br2
Smiles	O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C25H17Br2N3O8/c26-16-5-15(23(17(27)8-16)38-25(33)14-2-4-19-21(7-14)37-12-35-19)9-29-30-22(31)10-28-24(32)13-1-3-18-20(6-13)36-11-34-18/h1-9H,10-12H2,(H,28,32)(H,30,31)
InChIK	XPADGXKECXZSOF-UHFFFAOYSA-N
TotalMolweight	647.231
Molweight	647.231
MonoisotopicMass	644.938239
CLogP	5.389
CLogS	-8.048
H Acceptors	11
H Donors	2
TotalSurfaceArea	395.25
Relative PSA	0.31259
PolarSurfaceArea	133.78
Druglikeness	3.2348
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Amides	1
StereoCon

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1 - [2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 1,3-benzodioxole-5-carboxylate | 2 - [2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 1,3-benzodioxole-5-carboxylate

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