(1E)-2,4-dichloro-N-hydroxybenzenecarboximidoyl chloride
Formula:C7H4NOCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1E)-2,4-dichloro-N-hydroxybenzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (1E)-2,4-dichloro-N-hydroxybenzenecarboximidoyl chloride |
| MolecularFormula | C7H4NOCl3 |
| Smiles | O/N=C(\c(ccc(Cl)c1)c1Cl)/Cl |
| InChI | InChI=1S/C7H4Cl3NO/c8-4-1-2-5(6(9)3-4)7(10)11-12/h1-3,12H |
| InChIK | GXBVZCSCOBTMHS-UHFFFAOYSA-N |
| TotalMolweight | 224.474 |
| Molweight | 224.474 |
| MonoisotopicMass | 222.935845 |
| CLogP | 3.4162 |
| CLogS | -4.809 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 148.84 |
| Relative PSA | 0.16535 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -1.7422 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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