7-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]quinolin-4-amine
Formula:C16H10N3Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C16H10N3Cl3 |
| Smiles | Clc1ccc(c(N/N=C\c2cccc(Cl)c2Cl)ccn2)c2c1 |
| InChI | InChI=1S/C16H10Cl3N3/c17-11-4-5-12-14(6-7-20-15(12)8-11)22-21-9-10-2-1-3-13(18)16(10)19/h1-9H,(H,20,22) |
| InChIK | CZEIUAATNYIEAZ-UHFFFAOYSA-N |
| TotalMolweight | 350.635 |
| Molweight | 350.635 |
| MonoisotopicMass | 348.994028 |
| CLogP | 6.9749 |
| CLogS | -6.063 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.86 |
| Relative PSA | 0.13638 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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