(NZ)-N-[(4-chloro-6-fluoro-2H-chromen-3-yl)methylidene]hydroxylamine
Formula:C10H7NO2ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(4-chloro-6-fluoro-2H-chromen-3-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(4-chloro-6-fluoro-2H-chromen-3-yl)methylidene]hydroxylamine |
| MolecularFormula | C10H7NO2ClF |
| Smiles | O/N=C\C(COc(cc1)c2cc1F)=C2Cl |
| InChI | InChI=1S/C10H7ClFNO2/c11-10-6(4-13-14)5-15-9-2-1-7(12)3-8(9)10/h1-4,14H,5H2 |
| InChIK | UNEXUKHJXPLESF-UHFFFAOYSA-N |
| TotalMolweight | 227.622 |
| Molweight | 227.622 |
| MonoisotopicMass | 227.014934 |
| CLogP | 2.6941 |
| CLogS | -2.058 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 159.32 |
| Relative PSA | 0.21724 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -1.7133 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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