6-[(Z)-2-(1H-indol-3-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Formula:C14H10N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(Z)-2-(1H-indol-3-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(Z)-2-(1H-indol-3-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
| MolecularFormula | C14H10N4O4 |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C\c2c[nH]c3c2cccc3)NC1=O)=O |
| InChI | InChI=1S/C14H10N4O4/c19-13-12(18(21)22)11(16-14(20)17-13)6-5-8-7-15-10-4-2-1-3-9(8)10/h1-7,15H,(H2,16,17,19,20) |
| InChIK | NNYBAUSTLGTEJW-UHFFFAOYSA-N |
| TotalMolweight | 298.257 |
| Molweight | 298.257 |
| MonoisotopicMass | 298.070206 |
| CLogP | 0.3354 |
| CLogS | -3.931 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 215.44 |
| Relative PSA | 0.43358 |
| PolarSurfaceArea | 119.81 |
| Druglikeness | -2.6738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(Z)-2-(1H-indol-3-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione | 2 - 6-[(Z)-2-(1H-indol-3-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
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