[4-nitro-2-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Formula:C22H15N4O8Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-nitro-2-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.

MolName	[4-nitro-2-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
MolecularFormula	C22H15N4O8Br
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(COc(cccc2)c2[N+]([O-])=O)=O)c1OC(c1cccc(Br)c1)=O)=O
InChI	InChI=1S/C22H15BrN4O8/c23-16-5-3-4-14(10-16)22(29)35-19-9-8-17(26(30)31)11-15(19)12-24-25-21(28)13-34-20-7-2-1-6-18(20)27(32)33/h1-12H,13H2,(H,25,28)
InChIK	HCQNBZYPBIRRLU-UHFFFAOYSA-N
TotalMolweight	543.285
Molweight	543.285
MonoisotopicMass	542.007327
CLogP	3.089
CLogS	-6.725
H Acceptors	12
H Donors	1
TotalSurfaceArea	364.23
Relative PSA	0.35662
PolarSurfaceArea	168.63
Druglikeness	-2.8759
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
AcidicOxygens	2
StereoCon

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