[(E)-pyridin-4-ylmethylideneamino] N-phenylcarbamate
Formula:C13H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-pyridin-4-ylmethylideneamino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-pyridin-4-ylmethylideneamino] N-phenylcarbamate |
| MolecularFormula | C13H11N3O2 |
| Smiles | O=C(Nc1ccccc1)O/N=C/c1ccncc1 |
| InChI | InChI=1S/C13H11N3O2/c17-13(16-12-4-2-1-3-5-12)18-15-10-11-6-8-14-9-7-11/h1-10H,(H,16,17) |
| InChIK | VWFMCEPLGRYJHQ-UHFFFAOYSA-N |
| TotalMolweight | 241.249 |
| Molweight | 241.249 |
| MonoisotopicMass | 241.085127 |
| CLogP | 2.9111 |
| CLogS | -3.492 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 195.75 |
| Relative PSA | 0.29109 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -6.255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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