cyanomethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C21H16N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
cyanomethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | cyanomethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C21H16N2O3 |
| Smiles | N#CCOC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O |
| InChI | InChI=1S/C21H16N2O3/c22-10-12-26-21(24)19-16-7-1-2-9-18(16)23-20-14(5-3-8-17(19)20)13-15-6-4-11-25-15/h1-2,4,6-7,9,11,13H,3,5,8,12H2 |
| InChIK | HJNSYCKPTZWBCL-UHFFFAOYSA-N |
| TotalMolweight | 344.369 |
| Molweight | 344.369 |
| MonoisotopicMass | 344.116093 |
| CLogP | 3.4368 |
| CLogS | -5.071 |
| H Acceptors | 5 |
| TotalSurfaceArea | 271.78 |
| Relative PSA | 0.22695 |
| PolarSurfaceArea | 76.12 |
| Druglikeness | -7.4826 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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