N-[(Z)-(3-chlorophenyl)methylideneamino]-2,4-dihydroxybenzamide
Formula:C14H11N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-2,4-dihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-2,4-dihydroxybenzamide |
| MolecularFormula | C14H11N2O3Cl |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C14H11ClN2O3/c15-10-3-1-2-9(6-10)8-16-17-14(20)12-5-4-11(18)7-13(12)19/h1-8,18-19H,(H,17,20) |
| InChIK | FXKRXNJDPPXGEF-UHFFFAOYSA-N |
| TotalMolweight | 290.705 |
| Molweight | 290.705 |
| MonoisotopicMass | 290.04582 |
| CLogP | 3.1162 |
| CLogS | -3.865 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 215.11 |
| Relative PSA | 0.2892 |
| PolarSurfaceArea | 81.92 |
| Druglikeness | 4.4298 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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