N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C26H21N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C26H21N3O |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C(/CCC1)\c2c1cccc2 |
| InChI | InChI=1S/C26H21N3O/c30-26(29-28-24-16-8-12-18-9-4-5-13-20(18)24)22-17-25(19-10-2-1-3-11-19)27-23-15-7-6-14-21(22)23/h1-7,9-11,13-15,17H,8,12,16H2,(H,29,30) |
| InChIK | YZRWWNWUJQGLPL-UHFFFAOYSA-N |
| TotalMolweight | 391.473 |
| Molweight | 391.473 |
| MonoisotopicMass | 391.168462 |
| CLogP | 5.9405 |
| CLogS | -7.154 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.1 |
| Relative PSA | 0.15348 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 0.49257 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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