N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide
Formula:C12H9N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide |
| MolecularFormula | C12H9N2O3ClS |
| Smiles | Oc1cc(C(N/N=C\c(s2)ccc2Cl)=O)cc(O)c1 |
| InChI | InChI=1S/C12H9ClN2O3S/c13-11-2-1-10(19-11)6-14-15-12(18)7-3-8(16)5-9(17)4-7/h1-6,16-17H,(H,15,18) |
| InChIK | ULADUNWQHCBDDF-UHFFFAOYSA-N |
| TotalMolweight | 296.733 |
| Molweight | 296.733 |
| MonoisotopicMass | 296.00224 |
| CLogP | 3.1875 |
| CLogS | -3.892 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 211.05 |
| Relative PSA | 0.39123 |
| PolarSurfaceArea | 110.16 |
| Druglikeness | 5.6257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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