[2-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

Formula:C24H14N3O4Cl3S Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.

MolName	[2-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
MolecularFormula	C24H14N3O4Cl3S
Smiles	O=C(C(N/N=C\c(cccc1)c1OC(c(sc1c2cccc1)c2Cl)=O)=O)Nc1cccc(Cl)c1Cl
InChI	InChI=1S/C24H14Cl3N3O4S/c25-15-8-5-9-16(20(15)27)29-22(31)23(32)30-28-12-13-6-1-3-10-17(13)34-24(33)21-19(26)14-7-2-4-11-18(14)35-21/h1-12H,(H,29,31)(H,30,32)
InChIK	KDIMNNMXVQYFGH-UHFFFAOYSA-N
TotalMolweight	546.817
Molweight	546.817
MonoisotopicMass	544.977058
CLogP	6.3136
CLogS	-8.552
H Acceptors	7
H Donors	2
TotalSurfaceArea	380.51
Relative PSA	0.27308
PolarSurfaceArea	125.1
Druglikeness	4.648
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide; 3-halo-enone
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Amides	1
StereoCon

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1 - [2-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [2-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

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