N-[(E)-(6-chloro-2-phenylchromen-4-ylidene)amino]quinolin-2-amine
Formula:C24H16N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(6-chloro-2-phenylchromen-4-ylidene)amino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(6-chloro-2-phenylchromen-4-ylidene)amino]quinolin-2-amine |
| MolecularFormula | C24H16N3OCl |
| Smiles | Clc(cc1)cc2c1OC(c1ccccc1)=C/C2=N\Nc1nc2ccccc2cc1 |
| InChI | InChI=1S/C24H16ClN3O/c25-18-11-12-22-19(14-18)21(15-23(29-22)17-7-2-1-3-8-17)27-28-24-13-10-16-6-4-5-9-20(16)26-24/h1-15H,(H,26,28) |
| InChIK | NFMCXJFWSNBZHR-UHFFFAOYSA-N |
| TotalMolweight | 397.864 |
| Molweight | 397.864 |
| MonoisotopicMass | 397.098189 |
| CLogP | 7.8942 |
| CLogS | -6.92 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 297.2 |
| Relative PSA | 0.14785 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | 1.466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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