4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid
Formula:C11H9N3O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C11H9N3O2S |
| Smiles | OC(c1ccc(/C=N\Nc2nccs2)cc1)=O |
| InChI | InChI=1S/C11H9N3O2S/c15-10(16)9-3-1-8(2-4-9)7-13-14-11-12-5-6-17-11/h1-7H,(H,12,14)(H,15,16) |
| InChIK | FFFLNCMFTRMURV-UHFFFAOYSA-N |
| TotalMolweight | 247.277 |
| Molweight | 247.277 |
| MonoisotopicMass | 247.041547 |
| CLogP | 3.7809 |
| CLogS | -2.895 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 188.04 |
| Relative PSA | 0.42778 |
| PolarSurfaceArea | 102.82 |
| Druglikeness | 2.7293 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid | 2 - 4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid
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