N'-[(4-nitrophenyl)methoxy]pyridine-3-carboximidamide
Formula:C13H12N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(4-nitrophenyl)methoxy]pyridine-3-carboximidamide is a drug-like molecule.
| MolName | N'-[(4-nitrophenyl)methoxy]pyridine-3-carboximidamide |
| MolecularFormula | C13H12N4O3 |
| Smiles | N/C(/c1cnccc1)=N/OCc(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C13H12N4O3/c14-13(11-2-1-7-15-8-11)16-20-9-10-3-5-12(6-4-10)17(18)19/h1-8H,9H2,(H2,14,16) |
| InChIK | IYXMUNQIDKORBW-UHFFFAOYSA-N |
| TotalMolweight | 272.263 |
| Molweight | 272.263 |
| MonoisotopicMass | 272.090941 |
| CLogP | 1.0672 |
| CLogS | -3.072 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 210.7 |
| Relative PSA | 0.371 |
| PolarSurfaceArea | 106.32 |
| Druglikeness | -4.5014 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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