N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-imidazole-5-carboxamide
Formula:C11H9N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-imidazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-imidazole-5-carboxamide |
| MolecularFormula | C11H9N5O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cnc[nH]2)=O)cc1)=O |
| InChI | InChI=1S/C11H9N5O3/c17-11(10-6-12-7-13-10)15-14-5-8-1-3-9(4-2-8)16(18)19/h1-7H,(H,12,13)(H,15,17) |
| InChIK | COXHEKBPMSMKMJ-UHFFFAOYSA-N |
| TotalMolweight | 259.224 |
| Molweight | 259.224 |
| MonoisotopicMass | 259.07054 |
| CLogP | 0.4942 |
| CLogS | -3.02 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 198.99 |
| Relative PSA | 0.45927 |
| PolarSurfaceArea | 115.96 |
| Druglikeness | 0.68816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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