1-naphthalen-1-yl-3-[(Z)-naphthalen-1-ylmethylideneamino]urea
Formula:C22H17N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-naphthalen-1-yl-3-[(Z)-naphthalen-1-ylmethylideneamino]urea is not a drug-like molecule.
| MolName | 1-naphthalen-1-yl-3-[(Z)-naphthalen-1-ylmethylideneamino]urea |
| MolecularFormula | C22H17N3O |
| Smiles | O=C(Nc1cccc2ccccc12)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C22H17N3O/c26-22(24-21-14-6-10-17-8-2-4-13-20(17)21)25-23-15-18-11-5-9-16-7-1-3-12-19(16)18/h1-15H,(H2,24,25,26) |
| InChIK | KCIYPIOXTPXJDX-UHFFFAOYSA-N |
| TotalMolweight | 339.397 |
| Molweight | 339.397 |
| MonoisotopicMass | 339.137162 |
| CLogP | 5.5843 |
| CLogS | -7.449 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 267.65 |
| Relative PSA | 0.17736 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.7835 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Amides | 1 |
| StereoCon |
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