5-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]furan-2-sulfonic acid
Formula:C19H15N3O6S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]furan-2-sulfonic acid is a drug-like molecule.
| MolName | 5-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]furan-2-sulfonic acid |
| MolecularFormula | C19H15N3O6S2 |
| Smiles | OS(c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c2cccs2)=O)o1)(=O)=O |
| InChI | InChI=1S/C19H15N3O6S2/c23-18(13-5-2-1-3-6-13)21-16(11-15-7-4-10-29-15)19(24)22-20-12-14-8-9-17(28-14)30(25,26)27/h1-12H,(H,21,23)(H,22,24)(H,25,26,27) |
| InChIK | OGPWIOVBXWBTHJ-UHFFFAOYSA-N |
| TotalMolweight | 445.475 |
| Molweight | 445.475 |
| MonoisotopicMass | 445.040227 |
| CLogP | 1.7417 |
| CLogS | -3.527 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 321.23 |
| Relative PSA | 0.42543 |
| PolarSurfaceArea | 174.69 |
| Druglikeness | 7.9203 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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