6-chloro-7-hydroxy-4-(trifluoromethyl)chromen-2-one
Formula:C10H4O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-chloro-7-hydroxy-4-(trifluoromethyl)chromen-2-one is a drug-like molecule.
| MolName | 6-chloro-7-hydroxy-4-(trifluoromethyl)chromen-2-one |
| MolecularFormula | C10H4O3ClF3 |
| Smiles | Oc(cc(c(C(C(F)(F)F)=C1)c2)OC1=O)c2Cl |
| InChI | InChI=1S/C10H4ClF3O3/c11-6-1-4-5(10(12,13)14)2-9(16)17-8(4)3-7(6)15/h1-3,15H |
| InChIK | AJOANILONFCHFL-UHFFFAOYSA-N |
| TotalMolweight | 264.586 |
| Molweight | 264.586 |
| MonoisotopicMass | 263.980106 |
| CLogP | 2.3202 |
| CLogS | -3.279 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 163.45 |
| Relative PSA | 0.22111 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -9.7504 |
| 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 |
| StereoCon |
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