N-[(E)-[amino(nitramido)methylidene]amino]benzamide
Formula:C8H9N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[amino(nitramido)methylidene]amino]benzamide is a drug-like molecule.
| MolName | N-[(E)-[amino(nitramido)methylidene]amino]benzamide |
| MolecularFormula | C8H9N5O3 |
| Smiles | N/C(/N[N+]([O-])=O)=N\NC(c1ccccc1)=O |
| InChI | InChI=1S/C8H9N5O3/c9-8(12-13(15)16)11-10-7(14)6-4-2-1-3-5-6/h1-5H,(H,10,14)(H3,9,11,12) |
| InChIK | IKZJEXMARUNKLU-UHFFFAOYSA-N |
| TotalMolweight | 223.191 |
| Molweight | 223.191 |
| MonoisotopicMass | 223.07054 |
| CLogP | -0.9453 |
| CLogS | -3.388 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 169.09 |
| Relative PSA | 0.55095 |
| PolarSurfaceArea | 125.33 |
| Druglikeness | 0.56987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; N-nitro |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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