3-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
Formula:C14H13N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C14H13N2O2Cl |
| Smiles | N/C(/c1cccc(COc(cc2)ccc2Cl)c1)=N/O |
| InChI | InChI=1S/C14H13ClN2O2/c15-12-4-6-13(7-5-12)19-9-10-2-1-3-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17) |
| InChIK | JYYYTALSCYDEFC-UHFFFAOYSA-N |
| TotalMolweight | 276.722 |
| Molweight | 276.722 |
| MonoisotopicMass | 276.066555 |
| CLogP | 3.3224 |
| CLogS | -4.157 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 210.04 |
| Relative PSA | 0.23748 |
| PolarSurfaceArea | 67.84 |
| Druglikeness | -1.5775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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