4-[(2Z)-2-[[5-(4-sulfamoylphenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
Formula:C18H15N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(2Z)-2-[[5-(4-sulfamoylphenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-[[5-(4-sulfamoylphenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C18H15N3O5S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\Nc(cc2)ccc2C(O)=O)o1)(=O)=O |
| InChI | InChI=1S/C18H15N3O5S/c19-27(24,25)16-8-3-12(4-9-16)17-10-7-15(26-17)11-20-21-14-5-1-13(2-6-14)18(22)23/h1-11,21H,(H,22,23)(H2,19,24,25) |
| InChIK | PCJWZEKOMFNPKQ-UHFFFAOYSA-N |
| TotalMolweight | 385.399 |
| Molweight | 385.399 |
| MonoisotopicMass | 385.073242 |
| CLogP | 4.0289 |
| CLogS | -4.521 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 279.89 |
| Relative PSA | 0.38254 |
| PolarSurfaceArea | 143.37 |
| Druglikeness | 4.8299 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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