4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
Formula:C17H11N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid |
| MolecularFormula | C17H11N2O4Cl |
| Smiles | OC(c1ccc(/C=C(\C(N2c3cccc(Cl)c3)=O)/NC2=O)cc1)=O |
| InChI | InChI=1S/C17H11ClN2O4/c18-12-2-1-3-13(9-12)20-15(21)14(19-17(20)24)8-10-4-6-11(7-5-10)16(22)23/h1-9H,(H,19,24)(H,22,23) |
| InChIK | ZHJIVSXSLLTLDM-UHFFFAOYSA-N |
| TotalMolweight | 342.737 |
| Molweight | 342.737 |
| MonoisotopicMass | 342.040735 |
| CLogP | 2.7075 |
| CLogS | -4.968 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 241.01 |
| Relative PSA | 0.27895 |
| PolarSurfaceArea | 86.71 |
| Druglikeness | 3.735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid | 2 - 4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
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