(3Z)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Formula:C20H14NO2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is a drug-like molecule.
| MolName | (3Z)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| MolecularFormula | C20H14NO2Cl |
| Smiles | OC(c1c(CC/C2=C/c(cccc3)c3Cl)c2nc2ccccc12)=O |
| InChI | InChI=1S/C20H14ClNO2/c21-16-7-3-1-5-12(16)11-13-9-10-15-18(20(23)24)14-6-2-4-8-17(14)22-19(13)15/h1-8,11H,9-10H2,(H,23,24) |
| InChIK | DBLZUTWTBPGNJZ-UHFFFAOYSA-N |
| TotalMolweight | 335.789 |
| Molweight | 335.789 |
| MonoisotopicMass | 335.071306 |
| CLogP | 4.4323 |
| CLogS | -5.279 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.63 |
| Relative PSA | 0.1517 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -1.1876 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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