6-[(E)-2-morpholin-4-ylethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Formula:C10H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-morpholin-4-ylethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(E)-2-morpholin-4-ylethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
| MolecularFormula | C10H12N4O5 |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C/N2CCOCC2)NC1=O)=O |
| InChI | InChI=1S/C10H12N4O5/c15-9-8(14(17)18)7(11-10(16)12-9)1-2-13-3-5-19-6-4-13/h1-2H,3-6H2,(H2,11,12,15,16) |
| InChIK | QYWABMZCCKYEJU-UHFFFAOYSA-N |
| TotalMolweight | 268.228 |
| Molweight | 268.228 |
| MonoisotopicMass | 268.080771 |
| CLogP | -2.933 |
| CLogS | -1.55 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 193.35 |
| Relative PSA | 0.48084 |
| PolarSurfaceArea | 116.49 |
| Druglikeness | -1.7166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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