5-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
Formula:C12H8N2O5ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate is a drug-like molecule.
| MolName | 5-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate |
| MolecularFormula | C12H8N2O5ClS |
| Smiles | [O-]S(c1ccc(/C=N\NC(c(cccc2)c2Cl)=O)o1)(=O)=O |
| InChI | InChI=1S/C12H9ClN2O5S/c13-10-4-2-1-3-9(10)12(16)15-14-7-8-5-6-11(20-8)21(17,18)19/h1-7H,(H,15,16)(H,17,18,19)/p-1 |
| InChIK | FGCWDUXJZISRPZ-UHFFFAOYSA-M |
| TotalMolweight | 327.724 |
| Molweight | 327.724 |
| MonoisotopicMass | 326.984245 |
| CLogP | -0.3832 |
| CLogS | -2.508 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 228.21 |
| Relative PSA | 0.40743 |
| PolarSurfaceArea | 120.18 |
| Druglikeness | 0.39754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate | 2 - 5-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
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