N'-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide
Formula:C13H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide is a drug-like molecule.
| MolName | N'-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide |
| MolecularFormula | C13H12N3OCl |
| Smiles | N/C(/c1cnccc1)=N\OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C13H12ClN3O/c14-12-5-3-10(4-6-12)9-18-17-13(15)11-2-1-7-16-8-11/h1-8H,9H2,(H2,15,17) |
| InChIK | VRFUVBIRDZYLMR-UHFFFAOYSA-N |
| TotalMolweight | 261.711 |
| Molweight | 261.711 |
| MonoisotopicMass | 261.066889 |
| CLogP | 2.5948 |
| CLogS | -3.348 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 202.45 |
| Relative PSA | 0.23586 |
| PolarSurfaceArea | 60.5 |
| Druglikeness | 0.68975 |
| 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 | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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