N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-2-oxochromene-3-carboxamide
Formula:C17H9NO4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-2-oxochromene-3-carboxamide is a drug-like molecule.
| MolName | N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-2-oxochromene-3-carboxamide |
| MolecularFormula | C17H9NO4ClF3 |
| Smiles | Oc(cc1)cc(O2)c1C=C(C(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)C2=O |
| InChI | InChI=1S/C17H9ClF3NO4/c18-12-4-2-9(17(19,20)21)6-13(12)22-15(24)11-5-8-1-3-10(23)7-14(8)26-16(11)25/h1-7,23H,(H,22,24) |
| InChIK | LYZOKGLUAWDWGH-UHFFFAOYSA-N |
| TotalMolweight | 383.708 |
| Molweight | 383.708 |
| MonoisotopicMass | 383.01722 |
| CLogP | 3.4323 |
| CLogS | -4.686 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 252.42 |
| Relative PSA | 0.24023 |
| PolarSurfaceArea | 75.63 |
| Druglikeness | -7.0154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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