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[4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate

Formula:C21H13N2O3ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
MolName[4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
MolecularFormulaC21H13N2O3ClS2
SmilesO=C(c(sc1c2cccc1)c2Cl)N/N=C\c(cc1)ccc1OC(c1cccs1)=O
InChIInChI=1S/C21H13ClN2O3S2/c22-18-15-4-1-2-5-16(15)29-19(18)20(25)24-23-12-13-7-9-14(10-8-13)27-21(26)17-6-3-11-28-17/h1-12H,(H,24,25)
InChIKRADHWCXPJLCUEM-UHFFFAOYSA-N
TotalMolweight440.93
Molweight440.93
MonoisotopicMass440.00561
CLogP6.0259
CLogS-7.286
H Acceptors5
H Donors1
TotalSurfaceArea316.4
Relative PSA0.31533
PolarSurfaceArea124.24
Druglikeness6.0191
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index0.62069
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms1
Symmetricatoms2
StereoCon

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