(3Z)-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Formula:C26H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is not a drug-like molecule.
| MolName | (3Z)-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| MolecularFormula | C26H19NO3 |
| Smiles | OC(c1c(CC/C2=C/c3cc(Oc4ccccc4)ccc3)c2nc2ccccc12)=O |
| InChI | InChI=1S/C26H19NO3/c28-26(29)24-21-11-4-5-12-23(21)27-25-18(13-14-22(24)25)15-17-7-6-10-20(16-17)30-19-8-2-1-3-9-19/h1-12,15-16H,13-14H2,(H,28,29) |
| InChIK | QSWDAWGZMHQXGM-UHFFFAOYSA-N |
| TotalMolweight | 393.441 |
| Molweight | 393.441 |
| MonoisotopicMass | 393.136494 |
| CLogP | 5.2219 |
| CLogS | -6.84 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.97 |
| Relative PSA | 0.15757 |
| PolarSurfaceArea | 59.42 |
| Druglikeness | -1.259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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