(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
Formula:C18H13N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C18H13N2O4Cl |
| Smiles | O=C(/C(/N1)=C/c(cc2)cc3c2OCO3)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C18H13ClN2O4/c19-13-4-1-11(2-5-13)9-21-17(22)14(20-18(21)23)7-12-3-6-15-16(8-12)25-10-24-15/h1-8H,9-10H2,(H,20,23) |
| InChIK | HMIQQSQIQOKWIV-UHFFFAOYSA-N |
| TotalMolweight | 356.764 |
| Molweight | 356.764 |
| MonoisotopicMass | 356.056385 |
| CLogP | 3.2567 |
| CLogS | -5.144 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.93 |
| Relative PSA | 0.24345 |
| PolarSurfaceArea | 67.87 |
| Druglikeness | 4.8454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
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