[4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

Formula:C22H13N3O4Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C22H13N3O4Cl4
Smiles	O=C(C(N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O)=O)Nc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C22H13Cl4N3O4/c23-13-3-7-16(18(25)9-13)22(32)33-15-5-1-12(2-6-15)11-27-29-21(31)20(30)28-14-4-8-17(24)19(26)10-14/h1-11H,(H,28,30)(H,29,31)
InChIK	MOWCBFDTLIRRKQ-UHFFFAOYSA-N
TotalMolweight	525.174
Molweight	525.174
MonoisotopicMass	522.966015
CLogP	5.9984
CLogS	-7.939
H Acceptors	7
H Donors	2
TotalSurfaceArea	365.39
Relative PSA	0.22866
PolarSurfaceArea	96.86
Druglikeness	3.4163
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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