[4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
Formula:C24H17N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C24H17N2O4BrS |
| Smiles | O=C(c(cc1)ccc1Br)Oc1ccc(/C=N\NS(c2cc3ccccc3cc2)(=O)=O)cc1 |
| InChI | InChI=1S/C24H17BrN2O4S/c25-21-10-7-19(8-11-21)24(28)31-22-12-5-17(6-13-22)16-26-27-32(29,30)23-14-9-18-3-1-2-4-20(18)15-23/h1-16,27H |
| InChIK | AVCZGPSZWPCGFG-UHFFFAOYSA-N |
| TotalMolweight | 509.379 |
| Molweight | 509.379 |
| MonoisotopicMass | 508.009239 |
| CLogP | 5.6272 |
| CLogS | -5.826 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.56 |
| Relative PSA | 0.22032 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -1.4745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
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