4,6-dichloro-5-(4-chlorophenyl)-2-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidine
Formula:C18H10N2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,6-dichloro-5-(4-chlorophenyl)-2-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidine is not a drug-like molecule.
| MolName | 4,6-dichloro-5-(4-chlorophenyl)-2-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidine |
| MolecularFormula | C18H10N2Cl4 |
| Smiles | Clc1ccc(/C=C\c2nc(Cl)c(-c(cc3)ccc3Cl)c(Cl)n2)cc1 |
| InChI | InChI=1S/C18H10Cl4N2/c19-13-6-1-11(2-7-13)3-10-15-23-17(21)16(18(22)24-15)12-4-8-14(20)9-5-12/h1-10H |
| InChIK | KPQDGYRDIJDARD-UHFFFAOYSA-N |
| TotalMolweight | 396.103 |
| Molweight | 396.103 |
| MonoisotopicMass | 393.959806 |
| CLogP | 6.4709 |
| CLogS | -6.588 |
| H Acceptors | 2 |
| TotalSurfaceArea | 278.48 |
| Relative PSA | 0.078785 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -1.2915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4,6-dichloro-5-(4-chlorophenyl)-2-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidine | 2 - 4,6-dichloro-5-(4-chlorophenyl)-2-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidine
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