N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]amino]aniline
Formula:C23H18N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]amino]aniline |
| MolecularFormula | C23H18N2O3 |
| Smiles | C1Oc(ccc(C(Oc2c3cccc2)=C/C3=N\Nc2ccccc2)c2)c2OC1 |
| InChI | InChI=1S/C23H18N2O3/c1-2-6-17(7-3-1)24-25-19-15-22(28-20-9-5-4-8-18(19)20)16-10-11-21-23(14-16)27-13-12-26-21/h1-11,14-15,24H,12-13H2 |
| InChIK | QZLHYCOLMYADHU-UHFFFAOYSA-N |
| TotalMolweight | 370.407 |
| Molweight | 370.407 |
| MonoisotopicMass | 370.131743 |
| CLogP | 6.5996 |
| CLogS | -5.135 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.44 |
| Relative PSA | 0.18754 |
| PolarSurfaceArea | 52.08 |
| Druglikeness | -5.7003 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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)chromen-4-ylidene]amino]aniline | 2 - N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]amino]aniline
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