benzyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C25H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | benzyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C25H19NO3 |
| Smiles | O=C(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)OCc1ccccc1 |
| InChI | InChI=1S/C25H19NO3/c27-25(29-16-17-7-2-1-3-8-17)23-20-10-4-5-11-22(20)26-24-18(12-13-21(23)24)15-19-9-6-14-28-19/h1-11,14-15H,12-13,16H2 |
| InChIK | UGKSEEPDEDCWNP-UHFFFAOYSA-N |
| TotalMolweight | 381.43 |
| Molweight | 381.43 |
| MonoisotopicMass | 381.136494 |
| CLogP | 4.861 |
| CLogS | -5.676 |
| H Acceptors | 4 |
| TotalSurfaceArea | 296.07 |
| Relative PSA | 0.16253 |
| PolarSurfaceArea | 52.33 |
| Druglikeness | -1.3226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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