[3-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

Formula:C25H17N3O4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
MolecularFormula	C25H17N3O4BrClS
Smiles	O=C(CNC(c1cccc(Br)c1)=O)N/N=C\c1cc(OC(c(sc2c3cccc2)c3Cl)=O)ccc1
InChI	InChI=1S/C25H17BrClN3O4S/c26-17-7-4-6-16(12-17)24(32)28-14-21(31)30-29-13-15-5-3-8-18(11-15)34-25(33)23-22(27)19-9-1-2-10-20(19)35-23/h1-13H,14H2,(H,28,32)(H,30,31)
InChIK	UANOWJYVSUIAFC-UHFFFAOYSA-N
TotalMolweight	570.85
Molweight	570.85
MonoisotopicMass	568.981165
CLogP	5.9682
CLogS	-7.877
H Acceptors	7
H Donors	2
TotalSurfaceArea	382.06
Relative PSA	0.27197
PolarSurfaceArea	125.1
Druglikeness	4.5894
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index	0.6
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
Amides	1
StereoCon

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1 - [3-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [3-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

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