N-[(Z)-furan-3-ylmethylideneamino]-2-(3-nitropyrazol-1-yl)acetamide
Formula:C10H9N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-3-ylmethylideneamino]-2-(3-nitropyrazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-3-ylmethylideneamino]-2-(3-nitropyrazol-1-yl)acetamide |
| MolecularFormula | C10H9N5O4 |
| Smiles | [O-][N+](c1nn(CC(N/N=C\c2cocc2)=O)cc1)=O |
| InChI | InChI=1S/C10H9N5O4/c16-10(12-11-5-8-2-4-19-7-8)6-14-3-1-9(13-14)15(17)18/h1-5,7H,6H2,(H,12,16) |
| InChIK | SNCPUGVCDLRHPQ-UHFFFAOYSA-N |
| TotalMolweight | 263.212 |
| Molweight | 263.212 |
| MonoisotopicMass | 263.065455 |
| CLogP | -0.677 |
| CLogS | -2.598 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 202.07 |
| Relative PSA | 0.48686 |
| PolarSurfaceArea | 118.24 |
| Druglikeness | 0.80253 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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