1-phenyl-N-[(Z)-quinolin-6-ylmethylideneamino]methanamine
Formula:C17H15N3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-phenyl-N-[(Z)-quinolin-6-ylmethylideneamino]methanamine is a drug-like molecule.
| MolName | 1-phenyl-N-[(Z)-quinolin-6-ylmethylideneamino]methanamine |
| MolecularFormula | C17H15N3 |
| Smiles | C(c1ccccc1)N/N=C\c1ccc2ncccc2c1 |
| InChI | InChI=1S/C17H15N3/c1-2-5-14(6-3-1)12-19-20-13-15-8-9-17-16(11-15)7-4-10-18-17/h1-11,13,19H,12H2 |
| InChIK | KXVUUUGQERAIMJ-UHFFFAOYSA-N |
| TotalMolweight | 261.327 |
| Molweight | 261.327 |
| MonoisotopicMass | 261.126597 |
| CLogP | 3.4352 |
| CLogS | -4.298 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 216.36 |
| Relative PSA | 0.15687 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 3.0131 |
| 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 | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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