N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
Formula:C14H11N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide |
| MolecularFormula | C14H11N3O3F2 |
| Smiles | [O-][n+](cc1)ccc1C(N/N=C\c(cc1)ccc1OC(F)F)=O |
| InChI | InChI=1S/C14H11F2N3O3/c15-14(16)22-12-3-1-10(2-4-12)9-17-18-13(20)11-5-7-19(21)8-6-11/h1-9,14H,(H,18,20) |
| InChIK | XMHLSHVBIAZZCD-UHFFFAOYSA-N |
| TotalMolweight | 307.255 |
| Molweight | 307.255 |
| MonoisotopicMass | 307.076848 |
| CLogP | 1.8946 |
| CLogS | -5.932 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 224.24 |
| Relative PSA | 0.26877 |
| PolarSurfaceArea | 76.15 |
| Druglikeness | 0.1325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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