5-amino-1-[(E)-4-hydroxybut-2-enyl]imidazole-4-carboxamide
Formula:C8H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-1-[(E)-4-hydroxybut-2-enyl]imidazole-4-carboxamide is a drug-like molecule.
| MolName | 5-amino-1-[(E)-4-hydroxybut-2-enyl]imidazole-4-carboxamide |
| MolecularFormula | C8H12N4O2 |
| Smiles | NC(c1c(N)n(C/C=C/CO)cn1)=O |
| InChI | InChI=1S/C8H12N4O2/c9-7-6(8(10)14)11-5-12(7)3-1-2-4-13/h1-2,5,13H,3-4,9H2,(H2,10,14) |
| InChIK | YLWXZRVDVVGLCX-UHFFFAOYSA-N |
| TotalMolweight | 196.209 |
| Molweight | 196.209 |
| MonoisotopicMass | 196.096026 |
| CLogP | -1.2461 |
| CLogS | -0.618 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 156.38 |
| Relative PSA | 0.47653 |
| PolarSurfaceArea | 107.16 |
| Druglikeness | 3.6618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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