(4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
Formula:C10H8NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol is a drug-like molecule.
| MolName | (4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol |
| MolecularFormula | C10H8NO3F3 |
| Smiles | OC(C1)(C(F)(F)F)Oc(cccc2)c2/C1=N/O |
| InChI | InChI=1S/C10H8F3NO3/c11-10(12,13)9(15)5-7(14-16)6-3-1-2-4-8(6)17-9/h1-4,15-16H,5H2/t9-/m0/s1 |
| InChIK | UUGOBBSNVJGXCI-VIFPVBQESA-N |
| TotalMolweight | 247.172 |
| Molweight | 247.172 |
| MonoisotopicMass | 247.045628 |
| CLogP | 2.6961 |
| CLogS | -3.61 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 159.06 |
| Relative PSA | 0.29995 |
| PolarSurfaceArea | 62.05 |
| Druglikeness | -12.929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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