N-[(Z)-(2,3-dichlorophenyl)methylideneamino]quinolin-8-amine
Formula:C16H11N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]quinolin-8-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,3-dichlorophenyl)methylideneamino]quinolin-8-amine |
| MolecularFormula | C16H11N3Cl2 |
| Smiles | Clc(cccc1/C=N\Nc2cccc3cccnc23)c1Cl |
| InChI | InChI=1S/C16H11Cl2N3/c17-13-7-1-5-12(15(13)18)10-20-21-14-8-2-4-11-6-3-9-19-16(11)14/h1-10,21H |
| InChIK | REPNBYATQRWIGQ-UHFFFAOYSA-N |
| TotalMolweight | 316.19 |
| Molweight | 316.19 |
| MonoisotopicMass | 315.033001 |
| CLogP | 6.3689 |
| CLogS | -5.327 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.44 |
| Relative PSA | 0.14539 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]quinolin-8-amine | 2 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]quinolin-8-amine
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