(4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C21H16NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is a drug-like molecule.
| MolName | (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C21H16NO2F |
| Smiles | OC(c1c(CCC/C2=C\c(cc3)ccc3F)c2nc2ccccc12)=O |
| InChI | InChI=1S/C21H16FNO2/c22-15-10-8-13(9-11-15)12-14-4-3-6-17-19(21(24)25)16-5-1-2-7-18(16)23-20(14)17/h1-2,5,7-12H,3-4,6H2,(H,24,25) |
| InChIK | DFJBOLNIHJRSHP-UHFFFAOYSA-N |
| TotalMolweight | 333.361 |
| Molweight | 333.361 |
| MonoisotopicMass | 333.116507 |
| CLogP | 4.2691 |
| CLogS | -5.127 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.32 |
| Relative PSA | 0.14884 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -4.5142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid | 2 - (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
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