N-[(E)-(3-chlorophenyl)methylideneamino]-2-iodobenzamide
Formula:C14H10N2OClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(3-chlorophenyl)methylideneamino]-2-iodobenzamide is a drug-like molecule.
| MolName | N-[(E)-(3-chlorophenyl)methylideneamino]-2-iodobenzamide |
| MolecularFormula | C14H10N2OClI |
| Smiles | O=C(c(cccc1)c1I)N/N=C/c1cc(Cl)ccc1 |
| InChI | InChI=1S/C14H10ClIN2O/c15-11-5-3-4-10(8-11)9-17-18-14(19)12-6-1-2-7-13(12)16/h1-9H,(H,18,19) |
| InChIK | CYUPEKPXQYCIMK-UHFFFAOYSA-N |
| TotalMolweight | 384.599 |
| Molweight | 384.599 |
| MonoisotopicMass | 383.952638 |
| CLogP | 4.2447 |
| CLogS | -5.473 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.69 |
| Relative PSA | 0.15746 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.9074 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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