N-[(E)-(6,8-dichloro-2-phenylchromen-4-ylidene)amino]quinolin-2-amine
Formula:C24H15N3OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-(6,8-dichloro-2-phenylchromen-4-ylidene)amino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(6,8-dichloro-2-phenylchromen-4-ylidene)amino]quinolin-2-amine |
| MolecularFormula | C24H15N3OCl2 |
| Smiles | Clc(cc12)cc(Cl)c1OC(c1ccccc1)=C/C2=N\Nc1nc2ccccc2cc1 |
| InChI | InChI=1S/C24H15Cl2N3O/c25-17-12-18-21(28-29-23-11-10-15-6-4-5-9-20(15)27-23)14-22(16-7-2-1-3-8-16)30-24(18)19(26)13-17/h1-14H,(H,27,29) |
| InChIK | BSRRIMZLMFANRN-UHFFFAOYSA-N |
| TotalMolweight | 432.309 |
| Molweight | 432.309 |
| MonoisotopicMass | 431.059216 |
| CLogP | 8.5002 |
| CLogS | -7.656 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 312.62 |
| Relative PSA | 0.14055 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | 1.466 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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