7,8-dihydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
Formula:C19H11N2O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7,8-dihydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
| MolName | 7,8-dihydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C19H11N2O4F3 |
| Smiles | Oc(c(O)c1OC(C(F)(F)F)=C2c3cn(-c4ccccc4)nc3)ccc1C2=O |
| InChI | InChI=1S/C19H11F3N2O4/c20-19(21,22)18-14(10-8-23-24(9-10)11-4-2-1-3-5-11)15(26)12-6-7-13(25)16(27)17(12)28-18/h1-9,25,27H |
| InChIK | MCGZAKRKICGDRS-UHFFFAOYSA-N |
| TotalMolweight | 388.3 |
| Molweight | 388.3 |
| MonoisotopicMass | 388.067092 |
| CLogP | 2.2951 |
| CLogS | -3.754 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 260.07 |
| Relative PSA | 0.25793 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | -5.4299 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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