N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,4-dihydroxybenzamide
Formula:C14H10N2O3Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,4-dihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,4-dihydroxybenzamide |
| MolecularFormula | C14H10N2O3Cl2 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C14H10Cl2N2O3/c15-11-4-1-8(5-12(11)16)7-17-18-14(21)10-3-2-9(19)6-13(10)20/h1-7,19-20H,(H,18,21) |
| InChIK | CQDFAZISPHSWEX-UHFFFAOYSA-N |
| TotalMolweight | 325.15 |
| Molweight | 325.15 |
| MonoisotopicMass | 324.006847 |
| CLogP | 3.7222 |
| CLogS | -4.601 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 230.53 |
| Relative PSA | 0.26986 |
| 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 | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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