[3-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C25H17N3O4ClIS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C25H17N3O4ClIS |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c1cc(OC(c(sc2c3cccc2)c3Cl)=O)ccc1 |
| InChI | InChI=1S/C25H17ClIN3O4S/c26-22-18-9-2-4-11-20(18)35-23(22)25(33)34-16-7-5-6-15(12-16)13-29-30-21(31)14-28-24(32)17-8-1-3-10-19(17)27/h1-13H,14H2,(H,28,32)(H,30,31) |
| InChIK | XKFDPTWYCCEWEE-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 | 0.6 |
| 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 |
Click to Load Molecule:
1 - [3-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [3-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
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