(E)-N-hydroxybenzenecarboximidoyl chloride
Formula:C7H6NOCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-hydroxybenzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (E)-N-hydroxybenzenecarboximidoyl chloride |
| MolecularFormula | C7H6NOCl |
| Smiles | O/N=C(\c1ccccc1)/Cl |
| InChI | InChI=1S/C7H6ClNO/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H |
| InChIK | GYHKODORJRRYBU-UHFFFAOYSA-N |
| TotalMolweight | 155.584 |
| Molweight | 155.584 |
| MonoisotopicMass | 155.013791 |
| CLogP | 2.2042 |
| CLogS | -3.337 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 118 |
| Relative PSA | 0.20856 |
| 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 | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-N-hydroxybenzenecarboximidoyl chloride | 2 - (E)-N-hydroxybenzenecarboximidoyl chloride
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