[2-(3,5-dichloroanilino)-2-oxoethyl] (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C28H18N2O3Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(3,5-dichloroanilino)-2-oxoethyl] (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
| MolName | [2-(3,5-dichloroanilino)-2-oxoethyl] (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C28H18N2O3Cl4 |
| Smiles | O=C(COC(c1c(CC/C2=C\c(cc3)cc(Cl)c3Cl)c2nc2ccccc12)=O)Nc1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C28H18Cl4N2O3/c29-17-11-18(30)13-19(12-17)33-25(35)14-37-28(36)26-20-3-1-2-4-24(20)34-27-16(6-7-21(26)27)9-15-5-8-22(31)23(32)10-15/h1-5,8-13H,6-7,14H2,(H,33,35) |
| InChIK | OBKPQQFXBXZSSA-UHFFFAOYSA-N |
| TotalMolweight | 572.274 |
| Molweight | 572.274 |
| MonoisotopicMass | 570.007151 |
| CLogP | 7.4706 |
| CLogS | -8.889 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 397.27 |
| Relative PSA | 0.14728 |
| PolarSurfaceArea | 68.29 |
| Druglikeness | 1.9 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-(3,5-dichloroanilino)-2-oxoethyl] (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(3,5-dichloroanilino)-2-oxoethyl] (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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