N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]naphthalene-1-carboxamide
Formula:C21H18N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C21H18N2O |
| Smiles | O=C(c1cccc2ccccc12)N/N=C(/CCC1)\c2c1cccc2 |
| InChI | InChI=1S/C21H18N2O/c24-21(19-13-5-9-15-7-1-3-11-17(15)19)23-22-20-14-6-10-16-8-2-4-12-18(16)20/h1-5,7-9,11-13H,6,10,14H2,(H,23,24) |
| InChIK | UYLPWAHTWWNNRY-UHFFFAOYSA-N |
| TotalMolweight | 314.387 |
| Molweight | 314.387 |
| MonoisotopicMass | 314.141913 |
| CLogP | 5.0687 |
| CLogS | -6.276 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.58 |
| Relative PSA | 0.14545 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.49257 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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