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

Formula:C25H17N3O4ClIS Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
MolecularFormula	C25H17N3O4ClIS
Smiles	O=C(CNC(c(sc1c2cccc1)c2Cl)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O
InChI	InChI=1S/C25H17ClIN3O4S/c26-22-18-6-2-4-8-20(18)35-23(22)24(32)28-14-21(31)30-29-13-15-9-11-16(12-10-15)34-25(33)17-5-1-3-7-19(17)27/h1-13H,14H2,(H,28,32)(H,30,31)
InChIK	SOFKUYQNDKOHTQ-UHFFFAOYSA-N
TotalMolweight	617.846
Molweight	617.846
MonoisotopicMass	616.967302
CLogP	5.6801
CLogS	-8.059
H Acceptors	7
H Donors	2
TotalSurfaceArea	389.71
Relative PSA	0.26663
PolarSurfaceArea	125.1
Druglikeness	6.7657
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-iodobenzoate | 2 - [4-[(Z)-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate

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