| MolName | [(Z)-2-[(2-phenylacetyl)amino]ethylideneamino] N-naphthalen-1-ylcarbamate |
| MolecularFormula | C21H19N3O3 |
| Smiles | O=C(Cc1ccccc1)NC/C=N\OC(Nc1cccc2ccccc12)=O |
| InChI | InChI=1S/C21H19N3O3/c25-20(15-16-7-2-1-3-8-16)22-13-14-23-27-21(26)24-19-12-6-10-17-9-4-5-11-18(17)19/h1-12,14H,13,15H2,(H,22,25)(H,24,26) |
| InChIK | QMDGCRCUHUKZEI-UHFFFAOYSA-N |
| TotalMolweight | 361.4 |
| Molweight | 361.4 |
| MonoisotopicMass | 361.142642 |
| CLogP | 3.8773 |
| CLogS | -5.547 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 288.32 |
| Relative PSA | 0.24455 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -4.6294 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - [(Z)-2-[(2-phenylacetyl)amino]ethylideneamino] N-naphthalen-1-ylcarbamate | 2 - [(Z)-2-[(2-phenylacetyl)amino]ethylideneamino] N-naphthalen-1-ylcarbamate