5-chloro-N-[(Z)-furan-2-ylmethylideneamino]-2-hydroxybenzamide
Formula:C12H9N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-N-[(Z)-furan-2-ylmethylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | 5-chloro-N-[(Z)-furan-2-ylmethylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C12H9N2O3Cl |
| Smiles | Oc(ccc(Cl)c1)c1C(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C12H9ClN2O3/c13-8-3-4-11(16)10(6-8)12(17)15-14-7-9-2-1-5-18-9/h1-7,16H,(H,15,17) |
| InChIK | ZFJHGNKISUNMGD-UHFFFAOYSA-N |
| TotalMolweight | 264.667 |
| Molweight | 264.667 |
| MonoisotopicMass | 264.03017 |
| CLogP | 2.6506 |
| CLogS | -3.843 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 198.45 |
| Relative PSA | 0.31857 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 4.2033 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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