(3-chlorophenyl)methyl (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C27H18NO2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3-chlorophenyl)methyl (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
| MolName | (3-chlorophenyl)methyl (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C27H18NO2Cl3 |
| Smiles | O=C(c1c(CC/C2=C\c(cc3)cc(Cl)c3Cl)c2nc2ccccc12)OCc1cc(Cl)ccc1 |
| InChI | InChI=1S/C27H18Cl3NO2/c28-19-5-3-4-17(13-19)15-33-27(32)25-20-6-1-2-7-24(20)31-26-18(9-10-21(25)26)12-16-8-11-22(29)23(30)14-16/h1-8,11-14H,9-10,15H2 |
| InChIK | JPTUSNMUQTXROF-UHFFFAOYSA-N |
| TotalMolweight | 494.804 |
| Molweight | 494.804 |
| MonoisotopicMass | 493.04031 |
| CLogP | 7.4903 |
| CLogS | -8.202 |
| H Acceptors | 3 |
| TotalSurfaceArea | 352.64 |
| Relative PSA | 0.096444 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | -1.0484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (3-chlorophenyl)methyl (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - (3-chlorophenyl)methyl (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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