7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
Formula:C19H11N2O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
| MolName | 7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C19H11N2O3F3 |
| Smiles | Oc(cc1)cc(OC(C(F)(F)F)=C2c3cn(-c4ccccc4)nc3)c1C2=O |
| InChI | InChI=1S/C19H11F3N2O3/c20-19(21,22)18-16(17(26)14-7-6-13(25)8-15(14)27-18)11-9-23-24(10-11)12-4-2-1-3-5-12/h1-10,25H |
| InChIK | LIRNOHXQFVXONV-UHFFFAOYSA-N |
| TotalMolweight | 372.301 |
| Molweight | 372.301 |
| MonoisotopicMass | 372.072177 |
| CLogP | 2.6408 |
| CLogS | -4.05 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.72 |
| Relative PSA | 0.21275 |
| PolarSurfaceArea | 64.35 |
| Druglikeness | -5.4299 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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