[4-bromo-2-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Formula:C22H14N4O8Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C22H14N4O8Br2
Smiles	[O-][N+](c(cc1)ccc1C(Oc(cc1)c(/C=N\NC(COc(ccc([N+]([O-])=O)c2)c2Br)=O)cc1Br)=O)=O
InChI	InChI=1S/C22H14Br2N4O8/c23-15-3-7-19(36-22(30)13-1-4-16(5-2-13)27(31)32)14(9-15)11-25-26-21(29)12-35-20-8-6-17(28(33)34)10-18(20)24/h1-11H,12H2,(H,26,29)
InChIK	SIBFDYBLZIYIOG-UHFFFAOYSA-N
TotalMolweight	622.181
Molweight	622.181
MonoisotopicMass	619.917838
CLogP	3.8142
CLogS	-7.559
H Acceptors	12
H Donors	1
TotalSurfaceArea	382.86
Relative PSA	0.33926
PolarSurfaceArea	168.63
Druglikeness	-2.8759
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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