4-chloro-N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
Formula:C15H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide is a drug-like molecule.
| MolName | 4-chloro-N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide |
| MolecularFormula | C15H12N3OCl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OCc(cc1)ccc1C#N |
| InChI | InChI=1S/C15H12ClN3O/c16-14-7-5-13(6-8-14)15(18)19-20-10-12-3-1-11(9-17)2-4-12/h1-8H,10H2,(H2,18,19) |
| InChIK | FSTXMUGGCLJSSG-UHFFFAOYSA-N |
| TotalMolweight | 285.733 |
| Molweight | 285.733 |
| MonoisotopicMass | 285.066889 |
| CLogP | 3.4313 |
| CLogS | -4.916 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 225.4 |
| Relative PSA | 0.22334 |
| PolarSurfaceArea | 71.4 |
| Druglikeness | -3.5902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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