(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
Formula:C10H6N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C10H6N3O4Cl |
| Smiles | [O-][N+](c(cc(/C=C(\C(N1)=O)/NC1=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C10H6ClN3O4/c11-6-2-1-5(4-8(6)14(17)18)3-7-9(15)13-10(16)12-7/h1-4H,(H2,12,13,15,16) |
| InChIK | BNTIEQLGTBEYMO-UHFFFAOYSA-N |
| TotalMolweight | 267.628 |
| Molweight | 267.628 |
| MonoisotopicMass | 267.004684 |
| CLogP | 0.5527 |
| CLogS | -3.932 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 181.98 |
| Relative PSA | 0.43642 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -1.8622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
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