(1E)-4-chloro-N-hydroxybenzenecarboximidoyl chloride
Formula:C7H5NOCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1E)-4-chloro-N-hydroxybenzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (1E)-4-chloro-N-hydroxybenzenecarboximidoyl chloride |
| MolecularFormula | C7H5NOCl2 |
| Smiles | O/N=C(\c(cc1)ccc1Cl)/Cl |
| InChI | InChI=1S/C7H5Cl2NO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H |
| InChIK | JPBNMRDGFBFKLT-UHFFFAOYSA-N |
| TotalMolweight | 190.029 |
| Molweight | 190.029 |
| MonoisotopicMass | 188.974818 |
| CLogP | 2.8102 |
| CLogS | -4.073 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 133.42 |
| Relative PSA | 0.18446 |
| 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 | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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