(1Z)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride
Formula:C7H5N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (1Z)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride |
| MolecularFormula | C7H5N2O3Cl |
| Smiles | [O-][N+](c1cccc(/C(/Cl)=N/O)c1)=O |
| InChI | InChI=1S/C7H5ClN2O3/c8-7(9-11)5-2-1-3-6(4-5)10(12)13/h1-4,11H |
| InChIK | LSAGTJSJWCRWAZ-UHFFFAOYSA-N |
| TotalMolweight | 200.581 |
| Molweight | 200.581 |
| MonoisotopicMass | 199.99887 |
| CLogP | 1.2826 |
| CLogS | -3.797 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 141.67 |
| Relative PSA | 0.38844 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -6.8298 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride; aromatic nitro |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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