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

Formula:C22H15N3O6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is a drug-like molecule.

MolName	[4-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C22H15N3O6Cl2
Smiles	[O-][N+](c(cc(cc1)Cl)c1OCC(N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O)=O)=O
InChI	InChI=1S/C22H15Cl2N3O6/c23-15-7-10-20(19(11-15)27(30)31)32-13-21(28)26-25-12-14-5-8-16(9-6-14)33-22(29)17-3-1-2-4-18(17)24/h1-12H,13H2,(H,26,28)
InChIK	VCRKYLARHPFMJH-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	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
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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1 - [4-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

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