6,7-dihydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
Formula:C10H6NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6,7-dihydroxy-4-(trifluoromethyl)-1H-quinolin-2-one is a drug-like molecule.
| MolName | 6,7-dihydroxy-4-(trifluoromethyl)-1H-quinolin-2-one |
| MolecularFormula | C10H6NO3F3 |
| Smiles | Oc(c(O)c1)cc(C(C(F)(F)F)=C2)c1NC2=O |
| InChI | InChI=1S/C10H6F3NO3/c11-10(12,13)5-2-9(17)14-6-3-8(16)7(15)1-4(5)6/h1-3,15-16H,(H,14,17) |
| InChIK | KEKYOUOTWOBYIE-UHFFFAOYSA-N |
| TotalMolweight | 245.156 |
| Molweight | 245.156 |
| MonoisotopicMass | 245.029978 |
| CLogP | 0.8182 |
| CLogS | -2.289 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 155.84 |
| Relative PSA | 0.32533 |
| PolarSurfaceArea | 69.56 |
| Druglikeness | -7.2558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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