(2,6-dichlorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C26H19NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2,6-dichlorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.
| MolName | (2,6-dichlorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C26H19NO3Cl2 |
| Smiles | O=C(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C26H19Cl2NO3/c27-21-10-4-11-22(28)20(21)15-32-26(30)24-18-8-1-2-12-23(18)29-25-16(6-3-9-19(24)25)14-17-7-5-13-31-17/h1-2,4-5,7-8,10-14H,3,6,9,15H2 |
| InChIK | AYJJAGBNFLHXAR-UHFFFAOYSA-N |
| TotalMolweight | 464.347 |
| Molweight | 464.347 |
| MonoisotopicMass | 463.074198 |
| CLogP | 6.415 |
| CLogS | -7.418 |
| H Acceptors | 4 |
| TotalSurfaceArea | 340.67 |
| Relative PSA | 0.14125 |
| PolarSurfaceArea | 52.33 |
| Druglikeness | -3.0866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2,6-dichlorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - (2,6-dichlorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
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