N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline
Formula:C23H17N2O3F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline |
| MolecularFormula | C23H17N2O3F |
| Smiles | Fc(cc1)cc2c1OC(c(cc1)cc3c1OCCO3)=C/C2=N\Nc1ccccc1 |
| InChI | InChI=1S/C23H17FN2O3/c24-16-7-9-20-18(13-16)19(26-25-17-4-2-1-3-5-17)14-22(29-20)15-6-8-21-23(12-15)28-11-10-27-21/h1-9,12-14,25H,10-11H2 |
| InChIK | JAZUOHOBLICYJM-UHFFFAOYSA-N |
| TotalMolweight | 388.397 |
| Molweight | 388.397 |
| MonoisotopicMass | 388.122321 |
| CLogP | 6.7004 |
| CLogS | -5.449 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.79 |
| Relative PSA | 0.18342 |
| PolarSurfaceArea | 52.08 |
| Druglikeness | -7.0403 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline | 2 - N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline
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