[4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C25H14N2O3Cl2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C25H14N2O3Cl2S2 |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c(cc1)ccc1OC(c(sc1c2cccc1)c2Cl)=O |
| InChI | InChI=1S/C25H14Cl2N2O3S2/c26-20-16-5-1-3-7-18(16)33-22(20)24(30)29-28-13-14-9-11-15(12-10-14)32-25(31)23-21(27)17-6-2-4-8-19(17)34-23/h1-13H,(H,29,30) |
| InChIK | VVDAJMBRVLNPRV-UHFFFAOYSA-N |
| TotalMolweight | 525.435 |
| Molweight | 525.435 |
| MonoisotopicMass | 523.982287 |
| CLogP | 7.6865 |
| CLogS | -9.361 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 366.42 |
| Relative PSA | 0.27228 |
| PolarSurfaceArea | 124.24 |
| Druglikeness | 5.3724 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [4-[(Z)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
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