5-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
Formula:C13H11N2O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate is a drug-like molecule.
| MolName | 5-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate |
| MolecularFormula | C13H11N2O5S |
| Smiles | [O-]S(c1ccc(/C=N\NC(Cc2ccccc2)=O)o1)(=O)=O |
| InChI | InChI=1S/C13H12N2O5S/c16-12(8-10-4-2-1-3-5-10)15-14-9-11-6-7-13(20-11)21(17,18)19/h1-7,9H,8H2,(H,15,16)(H,17,18,19)/p-1 |
| InChIK | LSIYMCBXRQZXFF-UHFFFAOYSA-M |
| TotalMolweight | 307.305 |
| Molweight | 307.305 |
| MonoisotopicMass | 307.038868 |
| CLogP | -0.9911 |
| CLogS | -1.737 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 226.55 |
| Relative PSA | 0.41042 |
| PolarSurfaceArea | 120.18 |
| Druglikeness | 0.76774 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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