N'-hydroxy-2-pyrrol-1-ylthiophene-3-carboximidamide
Formula:C9H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-pyrrol-1-ylthiophene-3-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-pyrrol-1-ylthiophene-3-carboximidamide |
| MolecularFormula | C9H9N3OS |
| Smiles | N/C(/c1c(-n2cccc2)scc1)=N/O |
| InChI | InChI=1S/C9H9N3OS/c10-8(11-13)7-3-6-14-9(7)12-4-1-2-5-12/h1-6,13H,(H2,10,11) |
| InChIK | MIPZJFNLQDPSMB-UHFFFAOYSA-N |
| TotalMolweight | 207.256 |
| Molweight | 207.256 |
| MonoisotopicMass | 207.046632 |
| CLogP | 1.6887 |
| CLogS | -4.995 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 156 |
| Relative PSA | 0.43019 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | 1.1999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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