4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide
Formula:C10H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C10H12N2O3 |
| Smiles | N/C(/c1ccc(C2OCCO2)cc1)=N/O |
| InChI | InChI=1S/C10H12N2O3/c11-9(12-13)7-1-3-8(4-2-7)10-14-5-6-15-10/h1-4,10,13H,5-6H2,(H2,11,12) |
| InChIK | ALLSEOFWLPSQKK-UHFFFAOYSA-N |
| TotalMolweight | 208.216 |
| Molweight | 208.216 |
| MonoisotopicMass | 208.084793 |
| CLogP | 0.724 |
| CLogS | -2.047 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 157.62 |
| Relative PSA | 0.3799 |
| PolarSurfaceArea | 77.07 |
| Druglikeness | -7.112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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