cyanomethyl (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C22H16N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
cyanomethyl (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | cyanomethyl (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C22H16N2O2 |
| Smiles | N#CCOC(c1c(CC/C2=C/c3ccccc3)c2nc2ccccc12)=O |
| InChI | InChI=1S/C22H16N2O2/c23-12-13-26-22(25)20-17-8-4-5-9-19(17)24-21-16(10-11-18(20)21)14-15-6-2-1-3-7-15/h1-9,14H,10-11,13H2 |
| InChIK | YWFGCTKYPYLOQW-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 3.9061 |
| CLogS | -5.119 |
| H Acceptors | 4 |
| TotalSurfaceArea | 268.33 |
| Relative PSA | 0.17728 |
| PolarSurfaceArea | 62.98 |
| Druglikeness | -5.4395 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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