| MolName | 1-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione |
| MolecularFormula | C20H15N5O2Cl2 |
| Smiles | O=C(CN1/N=C\c2cn(Cc(ccc(Cl)c3)c3Cl)nc2-c2ccccc2)NC1=O |
| InChI | InChI=1S/C20H15Cl2N5O2/c21-16-7-6-14(17(22)8-16)10-26-11-15(9-23-27-12-18(28)24-20(27)29)19(25-26)13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,24,28,29) |
| InChIK | PIMAFRQEIRPDAU-UHFFFAOYSA-N |
| TotalMolweight | 428.278 |
| Molweight | 428.278 |
| MonoisotopicMass | 427.060279 |
| CLogP | 3.1773 |
| CLogS | -5.16 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 307.62 |
| Relative PSA | 0.22898 |
| PolarSurfaceArea | 79.59 |
| Druglikeness | 6.291 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione | 2 - 1-[(Z)-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione