2-[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
Formula:C20H14N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid |
| MolecularFormula | C20H14N3O4Cl |
| Smiles | OC(Cn1c(cccc2)c2c(/C=C(\C(N2c(cc3)ccc3Cl)=O)/NC2=O)c1)=O |
| InChI | InChI=1S/C20H14ClN3O4/c21-13-5-7-14(8-6-13)24-19(27)16(22-20(24)28)9-12-10-23(11-18(25)26)17-4-2-1-3-15(12)17/h1-10H,11H2,(H,22,28)(H,25,26) |
| InChIK | FYGIBSRJUCZXNU-UHFFFAOYSA-N |
| TotalMolweight | 395.801 |
| Molweight | 395.801 |
| MonoisotopicMass | 395.067284 |
| CLogP | 2.3743 |
| CLogS | -4.623 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 278.57 |
| Relative PSA | 0.266 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -0.83085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid | 2 - 2-[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
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