[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-2-sulfonate
Formula:C24H17N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-2-sulfonate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-2-sulfonate |
| MolecularFormula | C24H17N2O4BrS |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c(cc1)ccc1OS(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C24H17BrN2O4S/c25-23-8-4-3-7-22(23)24(28)27-26-16-17-9-12-20(13-10-17)31-32(29,30)21-14-11-18-5-1-2-6-19(18)15-21/h1-16H,(H,27,28) |
| InChIK | VKWNRCGIAVIBGE-UHFFFAOYSA-N |
| TotalMolweight | 509.379 |
| Molweight | 509.379 |
| MonoisotopicMass | 508.009239 |
| CLogP | 6.0001 |
| CLogS | -6.935 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.56 |
| Relative PSA | 0.22032 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -1.1934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| 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 | 3 |
| StereoCon |
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