(1Z)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride
Formula:C7H5NOClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1Z)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (1Z)-4-fluoro-N-hydroxybenzenecarboximidoyl chloride |
| MolecularFormula | C7H5NOClF |
| Smiles | O/N=C(/c(cc1)ccc1F)\Cl |
| InChI | InChI=1S/C7H5ClFNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H |
| InChIK | VDMJCVUEUHKGOY-UHFFFAOYSA-N |
| TotalMolweight | 173.574 |
| Molweight | 173.574 |
| MonoisotopicMass | 173.004369 |
| CLogP | 2.305 |
| CLogS | -3.651 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 124.35 |
| Relative PSA | 0.19791 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -3.0822 |
| 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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