7-chloro-3-[(Z)-hydroxyiminomethyl]chromen-4-one
Formula:C10H6NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-chloro-3-[(Z)-hydroxyiminomethyl]chromen-4-one is a drug-like molecule.
| MolName | 7-chloro-3-[(Z)-hydroxyiminomethyl]chromen-4-one |
| MolecularFormula | C10H6NO3Cl |
| Smiles | O/N=C\C1=COc(cc(cc2)Cl)c2C1=O |
| InChI | InChI=1S/C10H6ClNO3/c11-7-1-2-8-9(3-7)15-5-6(4-12-14)10(8)13/h1-5,14H |
| InChIK | YMEJRZOSUIKZBY-UHFFFAOYSA-N |
| TotalMolweight | 223.615 |
| Molweight | 223.615 |
| MonoisotopicMass | 223.003621 |
| CLogP | 1.9377 |
| CLogS | -3.601 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 158.75 |
| Relative PSA | 0.30016 |
| PolarSurfaceArea | 58.89 |
| Druglikeness | 0.67826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| 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 | 2 |
| StereoCon |
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