4-(furan-2-carbonyl)-N'-nitropiperazine-1-carboximidamide
Formula:C10H13N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(furan-2-carbonyl)-N'-nitropiperazine-1-carboximidamide is a drug-like molecule.
| MolName | 4-(furan-2-carbonyl)-N'-nitropiperazine-1-carboximidamide |
| MolecularFormula | C10H13N5O4 |
| Smiles | N/C(/N(CC1)CCN1C(c1ccco1)=O)=N/[N+]([O-])=O |
| InChI | InChI=1S/C10H13N5O4/c11-10(12-15(17)18)14-5-3-13(4-6-14)9(16)8-2-1-7-19-8/h1-2,7H,3-6H2,(H2,11,12) |
| InChIK | SSGSJZOIUYGXJX-UHFFFAOYSA-N |
| TotalMolweight | 267.244 |
| Molweight | 267.244 |
| MonoisotopicMass | 267.096755 |
| CLogP | -0.4304 |
| CLogS | -2.04 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 198 |
| Relative PSA | 0.46187 |
| PolarSurfaceArea | 120.89 |
| Druglikeness | 4.1997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | N-nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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