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

Formula:C22H15N4O8Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high [3-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C22H15N4O8Cl
Smiles	[O-][N+](c(cc1)ccc1C(Oc1cccc(/C=N\NC(COc(ccc(Cl)c2)c2[N+]([O-])=O)=O)c1)=O)=O
InChI	InChI=1S/C22H15ClN4O8/c23-16-6-9-20(19(11-16)27(32)33)34-13-21(28)25-24-12-14-2-1-3-18(10-14)35-22(29)15-4-7-17(8-5-15)26(30)31/h1-12H,13H2,(H,25,28)
InChIK	UIZFGNLURNWHTF-UHFFFAOYSA-N
TotalMolweight	498.834
Molweight	498.834
MonoisotopicMass	498.057843
CLogP	2.9698
CLogS	-6.627
H Acceptors	12
H Donors	1
TotalSurfaceArea	361.02
Relative PSA	0.35979
PolarSurfaceArea	168.63
Druglikeness	-1.0267
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62857
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
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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