(E)-1-cyclopropyl-N-phenylmethoxy-1-quinolin-3-ylmethanimine
Formula:C20H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-cyclopropyl-N-phenylmethoxy-1-quinolin-3-ylmethanimine is a drug-like molecule.
| MolName | (E)-1-cyclopropyl-N-phenylmethoxy-1-quinolin-3-ylmethanimine |
| MolecularFormula | C20H18N2O |
| Smiles | C(c1ccccc1)O/N=C(\C1CC1)/c1cc2ccccc2nc1 |
| InChI | InChI=1S/C20H18N2O/c1-2-6-15(7-3-1)14-23-22-20(16-10-11-16)18-12-17-8-4-5-9-19(17)21-13-18/h1-9,12-13,16H,10-11,14H2 |
| InChIK | PMFSXIXJWXWTDF-UHFFFAOYSA-N |
| TotalMolweight | 302.376 |
| Molweight | 302.376 |
| MonoisotopicMass | 302.141913 |
| CLogP | 4.4077 |
| CLogS | -5.224 |
| H Acceptors | 3 |
| TotalSurfaceArea | 239.63 |
| Relative PSA | 0.13554 |
| PolarSurfaceArea | 34.48 |
| Druglikeness | 1.9275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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