[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C26H20N3O5ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C26H20N3O5ClS |
| Smiles | O=C(CNS(c1ccccc1)(=O)=O)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C26H20ClN3O5S/c27-23-13-7-6-12-21(23)26(32)35-24-15-14-18-8-4-5-11-20(18)22(24)16-28-30-25(31)17-29-36(33,34)19-9-2-1-3-10-19/h1-16,29H,17H2,(H,30,31) |
| InChIK | AKHAUJXPODELPR-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 | -3.1101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| 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 | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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