N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinolin-2-amine
Formula:C24H14N3OCl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinolin-2-amine |
| MolecularFormula | C24H14N3OCl3 |
| Smiles | Clc(cc1)ccc1C(Oc(c1cc(Cl)c2)c2Cl)=C/C1=N\Nc1nc2ccccc2cc1 |
| InChI | InChI=1S/C24H14Cl3N3O/c25-16-8-5-15(6-9-16)22-13-21(18-11-17(26)12-19(27)24(18)31-22)29-30-23-10-7-14-3-1-2-4-20(14)28-23/h1-13H,(H,28,30) |
| InChIK | GYZAQRYTVYEAHH-UHFFFAOYSA-N |
| TotalMolweight | 466.754 |
| Molweight | 466.754 |
| MonoisotopicMass | 465.020243 |
| CLogP | 9.1062 |
| CLogS | -8.392 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 328.04 |
| Relative PSA | 0.13395 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | 1.466 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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