6-hydroxy-3-[(Z)-hydroxyiminomethyl]chromen-4-one
Formula:C10H7NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-hydroxy-3-[(Z)-hydroxyiminomethyl]chromen-4-one is a drug-like molecule.
| MolName | 6-hydroxy-3-[(Z)-hydroxyiminomethyl]chromen-4-one |
| MolecularFormula | C10H7NO4 |
| Smiles | Oc(cc1)cc2c1OC=C(/C=N\O)C2=O |
| InChI | InChI=1S/C10H7NO4/c12-7-1-2-9-8(3-7)10(13)6(4-11-14)5-15-9/h1-5,12,14H |
| InChIK | GCZFOHIDZJFINP-UHFFFAOYSA-N |
| TotalMolweight | 205.169 |
| Molweight | 205.169 |
| MonoisotopicMass | 205.037509 |
| CLogP | 0.986 |
| CLogS | -2.569 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 149.68 |
| Relative PSA | 0.40587 |
| PolarSurfaceArea | 79.12 |
| Druglikeness | 0.62589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| 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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