(NZ)-N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine
Formula:C10H7NO2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine |
| MolecularFormula | C10H7NO2Cl2 |
| Smiles | O/N=C\C(COc(cc1)c2cc1Cl)=C2Cl |
| InChI | InChI=1S/C10H7Cl2NO2/c11-7-1-2-9-8(3-7)10(12)6(4-13-14)5-15-9/h1-4,14H,5H2 |
| InChIK | SLPKISRAKPEEGH-UHFFFAOYSA-N |
| TotalMolweight | 244.077 |
| Molweight | 244.077 |
| MonoisotopicMass | 242.985383 |
| CLogP | 3.1993 |
| CLogS | -2.48 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 168.39 |
| Relative PSA | 0.20553 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -0.37327 |
| 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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1 - (NZ)-N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine | 2 - (NZ)-N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine
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