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

Formula:C22H16N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(4-nitrophenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.

MolName	[4-[(Z)-[[2-(4-nitrophenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C22H16N3O5Cl
Smiles	[O-][N+](c1ccc(CC(N/N=C\c(cc2)ccc2OC(c(cc2)ccc2Cl)=O)=O)cc1)=O
InChI	InChI=1S/C22H16ClN3O5/c23-18-7-5-17(6-8-18)22(28)31-20-11-3-16(4-12-20)14-24-25-21(27)13-15-1-9-19(10-2-15)26(29)30/h1-12,14H,13H2,(H,25,27)
InChIK	PORFUCOQURFPBB-UHFFFAOYSA-N
TotalMolweight	437.838
Molweight	437.838
MonoisotopicMass	437.077849
CLogP	4.3146
CLogS	-6.352
H Acceptors	8
H Donors	1
TotalSurfaceArea	327.35
Relative PSA	0.27332
PolarSurfaceArea	113.58
Druglikeness	-0.96927
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70968
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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