6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione
Formula:C11H9N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione |
| MolecularFormula | C11H9N5O4 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\C(NC(N1)=O)=CC1=O)=O |
| InChI | InChI=1S/C11H9N5O4/c17-10-5-8(13-11(18)14-10)6-12-15-7-1-3-9(4-2-7)16(19)20/h1-6,15H,(H2,13,14,17,18) |
| InChIK | FVGADKGUNVQHIG-UHFFFAOYSA-N |
| TotalMolweight | 275.223 |
| Molweight | 275.223 |
| MonoisotopicMass | 275.065455 |
| CLogP | 0.8153 |
| CLogS | -2.885 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 202.78 |
| Relative PSA | 0.50493 |
| PolarSurfaceArea | 128.41 |
| Druglikeness | -2.2815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione | 2 - 6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-pyrimidine-2,4-dione
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