(3-chlorophenyl)methyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C27H19NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3-chlorophenyl)methyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
| MolName | (3-chlorophenyl)methyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C27H19NO2Cl2 |
| Smiles | O=C(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)OCc1cccc(Cl)c1 |
| InChI | InChI=1S/C27H19Cl2NO2/c28-20-11-8-17(9-12-20)14-19-10-13-23-25(22-6-1-2-7-24(22)30-26(19)23)27(31)32-16-18-4-3-5-21(29)15-18/h1-9,11-12,14-15H,10,13,16H2 |
| InChIK | OOYBHOQLFGIMHL-UHFFFAOYSA-N |
| TotalMolweight | 460.359 |
| Molweight | 460.359 |
| MonoisotopicMass | 459.079283 |
| CLogP | 6.8843 |
| CLogS | -7.466 |
| H Acceptors | 3 |
| TotalSurfaceArea | 337.22 |
| Relative PSA | 0.10085 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | -1.0484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3-chlorophenyl)methyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - (3-chlorophenyl)methyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off