cyanomethyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C20H14N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
cyanomethyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | cyanomethyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C20H14N2O2S |
| Smiles | N#CCOC(c1c(CC/C2=C\c3cccs3)c2nc2ccccc12)=O |
| InChI | InChI=1S/C20H14N2O2S/c21-9-10-24-20(23)18-15-5-1-2-6-17(15)22-19-13(7-8-16(18)19)12-14-4-3-11-25-14/h1-6,11-12H,7-8,10H2 |
| InChIK | QNBJHJYHGNZKNC-UHFFFAOYSA-N |
| TotalMolweight | 346.409 |
| Molweight | 346.409 |
| MonoisotopicMass | 346.077598 |
| CLogP | 3.7727 |
| CLogS | -5.129 |
| H Acceptors | 4 |
| TotalSurfaceArea | 264.27 |
| Relative PSA | 0.25705 |
| PolarSurfaceArea | 91.22 |
| Druglikeness | -3.5115 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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