N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-2-amine
Formula:C18H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-2-amine |
| MolecularFormula | C18H15N3 |
| Smiles | C(/C=N\Nc1nc2ccccc2cc1)=C/c1ccccc1 |
| InChI | InChI=1S/C18H15N3/c1-2-7-15(8-3-1)9-6-14-19-21-18-13-12-16-10-4-5-11-17(16)20-18/h1-14H,(H,20,21) |
| InChIK | ZLBPJSKFESJFNC-UHFFFAOYSA-N |
| TotalMolweight | 273.338 |
| Molweight | 273.338 |
| MonoisotopicMass | 273.126597 |
| CLogP | 5.5266 |
| CLogS | -4.672 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.1 |
| Relative PSA | 0.14814 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.2952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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