[(Z)-pyridin-2-ylmethylideneamino] N-naphthalen-1-ylcarbamate
Formula:C17H13N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-pyridin-2-ylmethylideneamino] N-naphthalen-1-ylcarbamate is a drug-like molecule.
| MolName | [(Z)-pyridin-2-ylmethylideneamino] N-naphthalen-1-ylcarbamate |
| MolecularFormula | C17H13N3O2 |
| Smiles | O=C(Nc1cccc2ccccc12)O/N=C\c1ncccc1 |
| InChI | InChI=1S/C17H13N3O2/c21-17(22-19-12-14-8-3-4-11-18-14)20-16-10-5-7-13-6-1-2-9-15(13)16/h1-12H,(H,20,21) |
| InChIK | YJZMXEFEUCTOLS-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 4.1595 |
| CLogS | -5.122 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 230.35 |
| Relative PSA | 0.24736 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -6.255 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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