N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
Formula:C12H11N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide |
| MolecularFormula | C12H11N5O5 |
| Smiles | O=C(CNC(c1ccco1)=O)N/N=C\C(NC(N1)=O)=CC1=O |
| InChI | InChI=1S/C12H11N5O5/c18-9-4-7(15-12(21)16-9)5-14-17-10(19)6-13-11(20)8-2-1-3-22-8/h1-5H,6H2,(H,13,20)(H,17,19)(H2,15,16,18,21) |
| InChIK | LZLKAQXGDNPVFL-UHFFFAOYSA-N |
| TotalMolweight | 305.249 |
| Molweight | 305.249 |
| MonoisotopicMass | 305.07602 |
| CLogP | -1.63 |
| CLogS | -2.446 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 229.52 |
| Relative PSA | 0.5386 |
| PolarSurfaceArea | 141.9 |
| Druglikeness | 4.7119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide | 2 - N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off