(4E)-6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
Formula:C10H7NO3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol is a drug-like molecule.
| MolName | (4E)-6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol |
| MolecularFormula | C10H7NO3ClF3 |
| Smiles | OC(C1)(C(F)(F)F)Oc(ccc(Cl)c2)c2/C1=N/O |
| InChI | InChI=1S/C10H7ClF3NO3/c11-5-1-2-8-6(3-5)7(15-17)4-9(16,18-8)10(12,13)14/h1-3,16-17H,4H2/t9-/m0/s1 |
| InChIK | XCZYMAYEBAWIIK-VIFPVBQESA-N |
| TotalMolweight | 281.617 |
| Molweight | 281.617 |
| MonoisotopicMass | 281.006655 |
| CLogP | 3.3021 |
| CLogS | -4.346 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 174.48 |
| Relative PSA | 0.27344 |
| PolarSurfaceArea | 62.05 |
| Druglikeness | -12.828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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