N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinolin-2-amine
Formula:C24H15N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]quinolin-2-amine |
| MolecularFormula | C24H15N3OCl2 |
| Smiles | Clc(cc1)ccc1C(Oc(cc1)c2cc1Cl)=C/C2=N\Nc1nc2ccccc2cc1 |
| InChI | InChI=1S/C24H15Cl2N3O/c25-17-8-5-16(6-9-17)23-14-21(19-13-18(26)10-11-22(19)30-23)28-29-24-12-7-15-3-1-2-4-20(15)27-24/h1-14H,(H,27,29) |
| InChIK | QMJXUELJZJBZDV-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 | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| 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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