[1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C31H22N3O5ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C31H22N3O5ClS |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C31H22ClN3O5S/c32-28-13-7-6-12-26(28)31(37)40-29-19-16-21-8-4-5-11-25(21)27(29)20-33-34-30(36)22-14-17-23(18-15-22)35-41(38,39)24-9-2-1-3-10-24/h1-20,35H,(H,34,36) |
| InChIK | GQYRCZGEXPILQL-UHFFFAOYSA-N |
| TotalMolweight | 584.051 |
| Molweight | 584.051 |
| MonoisotopicMass | 583.096869 |
| CLogP | 6.7316 |
| CLogS | -8.866 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 424.32 |
| Relative PSA | 0.23353 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | -2.6604 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53659 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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