5-nitro-6-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione
Formula:C19H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-6-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 5-nitro-6-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione |
| MolecularFormula | C19H15N3O5 |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C/c2cc(OCc3ccccc3)ccc2)NC1=O)=O |
| InChI | InChI=1S/C19H15N3O5/c23-18-17(22(25)26)16(20-19(24)21-18)10-9-13-7-4-8-15(11-13)27-12-14-5-2-1-3-6-14/h1-11H,12H2,(H2,20,21,23,24) |
| InChIK | KNWBIJXVMXXDKR-UHFFFAOYSA-N |
| TotalMolweight | 365.344 |
| Molweight | 365.344 |
| MonoisotopicMass | 365.101172 |
| CLogP | 1.6441 |
| CLogS | -4.747 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 274.79 |
| Relative PSA | 0.32541 |
| PolarSurfaceArea | 113.25 |
| Druglikeness | -3.006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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