N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
Formula:C15H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide |
| MolecularFormula | C15H13N3O |
| Smiles | N/C(/c1ccccc1)=N/OCc(cc1)ccc1C#N |
| InChI | InChI=1S/C15H13N3O/c16-10-12-6-8-13(9-7-12)11-19-18-15(17)14-4-2-1-3-5-14/h1-9H,11H2,(H2,17,18) |
| InChIK | FKGQDUCZXQPFCG-UHFFFAOYSA-N |
| TotalMolweight | 251.288 |
| Molweight | 251.288 |
| MonoisotopicMass | 251.105862 |
| CLogP | 2.8253 |
| CLogS | -4.18 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 209.98 |
| Relative PSA | 0.23974 |
| PolarSurfaceArea | 71.4 |
| Druglikeness | -3.6729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide | 2 - N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off