[1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Formula:C26H20N3O5ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C26H20N3O5ClS |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C26H20ClN3O5S/c27-20-11-13-21(14-12-20)36(33,34)29-17-25(31)30-28-16-23-22-9-5-4-6-18(22)10-15-24(23)35-26(32)19-7-2-1-3-8-19/h1-16,29H,17H2,(H,30,31) |
| InChIK | OSLYPLBYZAELDI-UHFFFAOYSA-N |
| TotalMolweight | 521.98 |
| Molweight | 521.98 |
| MonoisotopicMass | 521.081219 |
| CLogP | 5.2028 |
| CLogS | -6.848 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 378.32 |
| Relative PSA | 0.26192 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 5.0897 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate | 2 - [1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
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