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3-chloro-N-[(Z)-[4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide

Formula:C26H16N4O2Cl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-chloro-N-[(Z)-[4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
MolName3-chloro-N-[(Z)-[4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide
MolecularFormulaC26H16N4O2Cl2S2
SmilesO=C(c(sc1c2cccc1)c2Cl)N/N=C\c1ccc(/C=N\NC(c(sc2c3cccc2)c3Cl)=O)cc1
InChIInChI=1S/C26H16Cl2N4O2S2/c27-21-17-5-1-3-7-19(17)35-23(21)25(33)31-29-13-15-9-11-16(12-10-15)14-30-32-26(34)24-22(28)18-6-2-4-8-20(18)36-24/h1-14H,(H,31,33)(H,32,34)
InChIKWRZDOPKMGMCKJU-UHFFFAOYSA-N
TotalMolweight551.477
Molweight551.477
MonoisotopicMass550.00917
CLogP7.798
CLogS-9.996
H Acceptors6
H Donors2
TotalSurfaceArea392.64
Relative PSA0.28713
PolarSurfaceArea139.4
Druglikeness5.6013
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index0.61111
Fragments1
Non HAtoms36
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms24
Symmetricatoms19
StereoCon

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