[3-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Formula:C22H15N3O6Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [3-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is a drug-like molecule.

MolName	[3-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C22H15N3O6Cl2
Smiles	[O-][N+](c(cc1)ccc1C(Oc1cccc(/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)c1)=O)=O
InChI	InChI=1S/C22H15Cl2N3O6/c23-16-6-9-20(19(24)11-16)32-13-21(28)26-25-12-14-2-1-3-18(10-14)33-22(29)15-4-7-17(8-5-15)27(30)31/h1-12H,13H2,(H,26,28)
InChIK	REAZODWADMVIRH-UHFFFAOYSA-N
TotalMolweight	488.282
Molweight	488.282
MonoisotopicMass	487.033791
CLogP	4.4974
CLogS	-6.903
H Acceptors	9
H Donors	1
TotalSurfaceArea	352.77
Relative PSA	0.28197
PolarSurfaceArea	122.81
Druglikeness	-1.0267
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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