N-[(Z)-benzylideneamino]-N'-hydroxypropanediamide
Formula:C10H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-N'-hydroxypropanediamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-N'-hydroxypropanediamide |
| MolecularFormula | C10H11N3O3 |
| Smiles | ONC(CC(N/N=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C10H11N3O3/c14-9(6-10(15)13-16)12-11-7-8-4-2-1-3-5-8/h1-5,7,16H,6H2,(H,12,14)(H,13,15) |
| InChIK | CKSQOOIRTRUEAP-UHFFFAOYSA-N |
| TotalMolweight | 221.215 |
| Molweight | 221.215 |
| MonoisotopicMass | 221.080042 |
| CLogP | 0.4215 |
| CLogS | -2.571 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 176.55 |
| Relative PSA | 0.41694 |
| PolarSurfaceArea | 90.79 |
| Druglikeness | 1.3825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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