3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Formula:C19H13N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C19H13N3O3S |
| Smiles | OC(c1cccc(-c2ccc(/C=N\Nc3nc(cccc4)c4s3)o2)c1)=O |
| InChI | InChI=1S/C19H13N3O3S/c23-18(24)13-5-3-4-12(10-13)16-9-8-14(25-16)11-20-22-19-21-15-6-1-2-7-17(15)26-19/h1-11H,(H,21,22)(H,23,24) |
| InChIK | OWUDGUNBNDBXHA-UHFFFAOYSA-N |
| TotalMolweight | 363.396 |
| Molweight | 363.396 |
| MonoisotopicMass | 363.067762 |
| CLogP | 5.8969 |
| CLogS | -5.589 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 272.09 |
| Relative PSA | 0.3475 |
| PolarSurfaceArea | 115.96 |
| Druglikeness | 4.5776 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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