N'-carbamimidoyl-2-(3-chlorophenoxy)ethanimidamide
Formula:C9H11N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N'-carbamimidoyl-2-(3-chlorophenoxy)ethanimidamide is a drug-like molecule.
| MolName | N'-carbamimidoyl-2-(3-chlorophenoxy)ethanimidamide |
| MolecularFormula | C9H11N4OCl |
| Smiles | N/C(/COc1cccc(Cl)c1)=N/C(N)=N |
| InChI | InChI=1S/C9H11ClN4O/c10-6-2-1-3-7(4-6)15-5-8(11)14-9(12)13/h1-4H,5H2,(H5,11,12,13,14) |
| InChIK | WXMVOTCLLJULAB-UHFFFAOYSA-N |
| TotalMolweight | 226.666 |
| Molweight | 226.666 |
| MonoisotopicMass | 226.062138 |
| CLogP | 0.0894 |
| CLogS | -2.002 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 172.76 |
| Relative PSA | 0.39158 |
| PolarSurfaceArea | 97.48 |
| Druglikeness | 0.19003 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-carbamimidoyl-2-(3-chlorophenoxy)ethanimidamide | 2 - N'-carbamimidoyl-2-(3-chlorophenoxy)ethanimidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off