(2-oxo-2-pyrrolidin-1-ylethyl) (4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C27H25N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxo-2-pyrrolidin-1-ylethyl) (4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.
| MolName | (2-oxo-2-pyrrolidin-1-ylethyl) (4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C27H25N2O3Cl |
| Smiles | O=C(COC(c1c(CCC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)=O)N1CCCC1 |
| InChI | InChI=1S/C27H25ClN2O3/c28-20-12-10-18(11-13-20)16-19-6-5-8-22-25(21-7-1-2-9-23(21)29-26(19)22)27(32)33-17-24(31)30-14-3-4-15-30/h1-2,7,9-13,16H,3-6,8,14-15,17H2 |
| InChIK | HSCSWIYMVJYTKG-UHFFFAOYSA-N |
| TotalMolweight | 460.96 |
| Molweight | 460.96 |
| MonoisotopicMass | 460.15537 |
| CLogP | 5.3434 |
| CLogS | -5.768 |
| H Acceptors | 5 |
| TotalSurfaceArea | 345.39 |
| Relative PSA | 0.1465 |
| PolarSurfaceArea | 59.5 |
| Druglikeness | 3.2327 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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