2-[(Z)-2-[3-[(4-chlorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Formula:C19H14N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-2-[3-[(4-chlorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.
| MolName | 2-[(Z)-2-[3-[(4-chlorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one |
| MolecularFormula | C19H14N3O5Cl |
| Smiles | [O-][N+](C(C(NC(/C=C\c1cccc(OCc(cc2)ccc2Cl)c1)=N1)=O)=C1O)=O |
| InChI | InChI=1S/C19H14ClN3O5/c20-14-7-4-13(5-8-14)11-28-15-3-1-2-12(10-15)6-9-16-21-18(24)17(23(26)27)19(25)22-16/h1-10H,11H2,(H2,21,22,24,25) |
| InChIK | YKRRCSOQGXOKKP-UHFFFAOYSA-N |
| TotalMolweight | 399.789 |
| Molweight | 399.789 |
| MonoisotopicMass | 399.062199 |
| CLogP | 1.8736 |
| CLogS | -6.095 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 290.32 |
| Relative PSA | 0.30838 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -2.6237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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