(3Z)-3-(naphthalen-1-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Formula:C24H17NO2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-(naphthalen-1-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is not a drug-like molecule.
| MolName | (3Z)-3-(naphthalen-1-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| MolecularFormula | C24H17NO2 |
| Smiles | OC(c1c(CC/C2=C/c3cccc4ccccc34)c2nc2ccccc12)=O |
| InChI | InChI=1S/C24H17NO2/c26-24(27)22-19-10-3-4-11-21(19)25-23-17(12-13-20(22)23)14-16-8-5-7-15-6-1-2-9-18(15)16/h1-11,14H,12-13H2,(H,26,27) |
| InChIK | LDEWNARIPXMOHU-UHFFFAOYSA-N |
| TotalMolweight | 351.404 |
| Molweight | 351.404 |
| MonoisotopicMass | 351.125929 |
| CLogP | 5.0207 |
| CLogS | -6.149 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 263.81 |
| Relative PSA | 0.14067 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -1.2942 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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