[4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

Formula:C25H17N3O4Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C25H17N3O4Cl2S
Smiles	O=C(CNC(c(sc1c2cccc1)c2Cl)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O
InChI	InChI=1S/C25H17Cl2N3O4S/c26-19-7-3-1-5-17(19)25(33)34-16-11-9-15(10-12-16)13-29-30-21(31)14-28-24(32)23-22(27)18-6-2-4-8-20(18)35-23/h1-13H,14H2,(H,28,32)(H,30,31)
InChIK	RQSVGSKAPAQALI-UHFFFAOYSA-N
TotalMolweight	526.399
Molweight	526.399
MonoisotopicMass	525.031681
CLogP	5.849
CLogS	-7.779
H Acceptors	7
H Donors	2
TotalSurfaceArea	378.85
Relative PSA	0.27428
PolarSurfaceArea	125.1
Druglikeness	6.3794
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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1 - [4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

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