[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-naphthalen-1-ylcarbamate
Formula:C23H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-naphthalen-1-ylcarbamate is not a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-naphthalen-1-ylcarbamate |
| MolecularFormula | C23H17N3O2 |
| Smiles | O=C(Nc1cccc2ccccc12)O/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C23H17N3O2/c27-23(25-20-15-8-12-17-9-4-5-13-19(17)20)28-26-22(18-10-2-1-3-11-18)21-14-6-7-16-24-21/h1-16H,(H,25,27) |
| InChIK | ZLHIZNGWAGXYNG-UHFFFAOYSA-N |
| TotalMolweight | 367.407 |
| Molweight | 367.407 |
| MonoisotopicMass | 367.132077 |
| CLogP | 5.3562 |
| CLogS | -6.898 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.32 |
| Relative PSA | 0.19763 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -5.5325 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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