[4-[(Z)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate

Formula:C25H21N3O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
MolecularFormula	C25H21N3O5Cl2
Smiles	CCOc(cc(/C=N\NC(C(Nc1cc(Cl)c(C)cc1)=O)=O)cc1)c1OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C25H21Cl2N3O5/c1-3-34-22-12-16(5-11-21(22)35-25(33)17-6-8-18(26)9-7-17)14-28-30-24(32)23(31)29-19-10-4-15(2)20(27)13-19/h4-14H,3H2,1-2H3,(H,29,31)(H,30,32)
InChIK	FTODYVHKWNHRHB-UHFFFAOYSA-N
TotalMolweight	514.364
Molweight	514.364
MonoisotopicMass	513.085826
CLogP	5.4666
CLogS	-7.129
H Acceptors	8
H Donors	2
TotalSurfaceArea	382.83
Relative PSA	0.24436
PolarSurfaceArea	106.09
Druglikeness	2.0133
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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1 - [4-[(Z)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate

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