7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one
Formula:C18H10N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
| MolName | 7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C18H10N3O3F3 |
| Smiles | Oc(cc1)cc(OC(C(F)(F)F)=C2c3nncn3-c3ccccc3)c1C2=O |
| InChI | InChI=1S/C18H10F3N3O3/c19-18(20,21)16-14(15(26)12-7-6-11(25)8-13(12)27-16)17-23-22-9-24(17)10-4-2-1-3-5-10/h1-9,25H |
| InChIK | SSCMZQAGTUACAW-UHFFFAOYSA-N |
| TotalMolweight | 373.289 |
| Molweight | 373.289 |
| MonoisotopicMass | 373.067426 |
| CLogP | 2.5938 |
| CLogS | -5.838 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.48 |
| Relative PSA | 0.25725 |
| PolarSurfaceArea | 77.24 |
| Druglikeness | -6.039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one | 2 - 7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-2-(trifluoromethyl)chromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off