5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-hydroxy-1H-pyrimidin-6-one
Formula:C18H12N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-hydroxy-1H-pyrimidin-6-one is a drug-like molecule.
| MolName | 5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-hydroxy-1H-pyrimidin-6-one |
| MolecularFormula | C18H12N2O2Cl2 |
| Smiles | OC(N=C(/C=C/c(cc1)ccc1Cl)N1)=C(c(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C18H12Cl2N2O2/c19-13-6-1-11(2-7-13)3-10-15-21-17(23)16(18(24)22-15)12-4-8-14(20)9-5-12/h1-10H,(H2,21,22,23,24) |
| InChIK | NPTFQPRXYSUPLX-UHFFFAOYSA-N |
| TotalMolweight | 359.211 |
| Molweight | 359.211 |
| MonoisotopicMass | 358.027582 |
| CLogP | 3.5506 |
| CLogS | -6.089 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 258.31 |
| Relative PSA | 0.19012 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.7444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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