4-[(2-fluoroanilino)methyl]-6,7-dihydroxychromen-2-one
Formula:C16H12NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(2-fluoroanilino)methyl]-6,7-dihydroxychromen-2-one is a drug-like molecule.
| MolName | 4-[(2-fluoroanilino)methyl]-6,7-dihydroxychromen-2-one |
| MolecularFormula | C16H12NO4F |
| Smiles | Oc(c(O)c1)cc(C(CNc(cccc2)c2F)=C2)c1OC2=O |
| InChI | InChI=1S/C16H12FNO4/c17-11-3-1-2-4-12(11)18-8-9-5-16(21)22-15-7-14(20)13(19)6-10(9)15/h1-7,18-20H,8H2 |
| InChIK | AHXQCMONOVUWDS-UHFFFAOYSA-N |
| TotalMolweight | 301.272 |
| Molweight | 301.272 |
| MonoisotopicMass | 301.075037 |
| CLogP | 1.7207 |
| CLogS | -2.813 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 216.25 |
| Relative PSA | 0.28069 |
| PolarSurfaceArea | 78.79 |
| Druglikeness | -2.2973 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-[(2-fluoroanilino)methyl]-6,7-dihydroxychromen-2-one | 2 - 4-[(2-fluoroanilino)methyl]-6,7-dihydroxychromen-2-one
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