(3E)-3-amino-N-(3-chlorophenyl)-3-hydroxyiminopropanamide
Formula:C9H10N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-amino-N-(3-chlorophenyl)-3-hydroxyiminopropanamide is a drug-like molecule.
| MolName | (3E)-3-amino-N-(3-chlorophenyl)-3-hydroxyiminopropanamide |
| MolecularFormula | C9H10N3O2Cl |
| Smiles | N/C(/CC(Nc1cccc(Cl)c1)=O)=N/O |
| InChI | InChI=1S/C9H10ClN3O2/c10-6-2-1-3-7(4-6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14) |
| InChIK | XTNWYWSCVDIMGW-UHFFFAOYSA-N |
| TotalMolweight | 227.65 |
| Molweight | 227.65 |
| MonoisotopicMass | 227.046154 |
| CLogP | 1.371 |
| CLogS | -2.89 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 169.49 |
| Relative PSA | 0.37985 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | 0.86759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| 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 |
| Amides | 1 |
| StereoCon |
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