[1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Formula:C31H21N3O5Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C31H21N3O5Cl2S |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C31H21Cl2N3O5S/c32-22-13-16-26(28(33)18-22)31(38)41-29-17-12-20-6-4-5-9-25(20)27(29)19-34-35-30(37)21-10-14-23(15-11-21)36-42(39,40)24-7-2-1-3-8-24/h1-19,36H,(H,35,37) |
| InChIK | RVIMHBMYKFWLKP-UHFFFAOYSA-N |
| TotalMolweight | 618.496 |
| Molweight | 618.496 |
| MonoisotopicMass | 617.057896 |
| CLogP | 7.3376 |
| CLogS | -9.602 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 439.74 |
| Relative PSA | 0.22534 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | -1.3826 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54762 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
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