N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C27H19N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C27H19N3O |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C27H19N3O/c31-27(30-28-18-21-13-8-12-19-9-4-5-14-22(19)21)24-17-26(20-10-2-1-3-11-20)29-25-16-7-6-15-23(24)25/h1-18H,(H,30,31) |
| InChIK | JZZFXDYSDBMHQC-UHFFFAOYSA-N |
| TotalMolweight | 401.468 |
| Molweight | 401.468 |
| MonoisotopicMass | 401.152812 |
| CLogP | 6.4622 |
| CLogS | -7.811 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.71 |
| Relative PSA | 0.14928 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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