[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C30H22NO5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
| MolName | [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C30H22NO5Cl |
| Smiles | O=C(COC(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)=O)c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C30H22ClNO5/c31-21-9-5-18(6-10-21)15-20-7-11-23-28(22-3-1-2-4-24(22)32-29(20)23)30(34)37-17-25(33)19-8-12-26-27(16-19)36-14-13-35-26/h1-6,8-10,12,15-16H,7,11,13-14,17H2 |
| InChIK | BXIJHGRTHZXHSF-UHFFFAOYSA-N |
| TotalMolweight | 511.96 |
| Molweight | 511.96 |
| MonoisotopicMass | 511.118651 |
| CLogP | 5.7989 |
| CLogS | -7.205 |
| H Acceptors | 6 |
| TotalSurfaceArea | 373.57 |
| Relative PSA | 0.17948 |
| PolarSurfaceArea | 74.72 |
| Druglikeness | -5.7342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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