(3E)-3-amino-N-benzyl-3-hydroxyiminopropanamide
Formula:C10H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-amino-N-benzyl-3-hydroxyiminopropanamide is a drug-like molecule.
| MolName | (3E)-3-amino-N-benzyl-3-hydroxyiminopropanamide |
| MolecularFormula | C10H13N3O2 |
| Smiles | N/C(/CC(NCc1ccccc1)=O)=N/O |
| InChI | InChI=1S/C10H13N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H2,11,13)(H,12,14) |
| InChIK | QOJRMUCEMSJURY-UHFFFAOYSA-N |
| TotalMolweight | 207.232 |
| Molweight | 207.232 |
| MonoisotopicMass | 207.100777 |
| CLogP | 0.4744 |
| CLogS | -1.97 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 167.83 |
| Relative PSA | 0.3836 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | 1.318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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