N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]quinolin-2-amine
Formula:C16H13N3O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]quinolin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]quinolin-2-amine |
| MolecularFormula | C16H13N3O |
| Smiles | C(/C=N\Nc1nc2ccccc2cc1)=C/c1ccco1 |
| InChI | InChI=1S/C16H13N3O/c1-2-8-15-13(5-1)9-10-16(18-15)19-17-11-3-6-14-7-4-12-20-14/h1-12H,(H,18,19) |
| InChIK | RFPOXKPLZXSSQX-UHFFFAOYSA-N |
| TotalMolweight | 263.299 |
| Molweight | 263.299 |
| MonoisotopicMass | 263.105862 |
| CLogP | 4.7153 |
| CLogS | -4.354 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.79 |
| Relative PSA | 0.21962 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 1.8725 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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