(4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C21H15NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is not a drug-like molecule.
| MolName | (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C21H15NO2Cl2 |
| Smiles | OC(c1c(CCC/C2=C\c(cc3)cc(Cl)c3Cl)c2nc2ccccc12)=O |
| InChI | InChI=1S/C21H15Cl2NO2/c22-16-9-8-12(11-17(16)23)10-13-4-3-6-15-19(21(25)26)14-5-1-2-7-18(14)24-20(13)15/h1-2,5,7-11H,3-4,6H2,(H,25,26) |
| InChIK | IZCYJOSBAPLKSB-UHFFFAOYSA-N |
| TotalMolweight | 384.261 |
| Molweight | 384.261 |
| MonoisotopicMass | 383.047983 |
| CLogP | 5.3803 |
| CLogS | -6.285 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.81 |
| Relative PSA | 0.13553 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -3.0676 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid | 2 - (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
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