5-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid
Formula:C15H12N4O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid is a drug-like molecule.
| MolName | 5-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid |
| MolecularFormula | C15H12N4O5S |
| Smiles | OS(c1ccc(/C=N\NC(c2cc(-c3ccccc3)n[nH]2)=O)o1)(=O)=O |
| InChI | InChI=1S/C15H12N4O5S/c20-15(13-8-12(17-18-13)10-4-2-1-3-5-10)19-16-9-11-6-7-14(24-11)25(21,22)23/h1-9H,(H,17,18)(H,19,20)(H,21,22,23) |
| InChIK | WWERWPLERWTGNT-UHFFFAOYSA-N |
| TotalMolweight | 360.349 |
| Molweight | 360.349 |
| MonoisotopicMass | 360.052841 |
| CLogP | -0.0438 |
| CLogS | -2.147 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 259.7 |
| Relative PSA | 0.4496 |
| PolarSurfaceArea | 146.03 |
| Druglikeness | 6.5194 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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