(4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C22H17NO3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is a drug-like molecule.
| MolName | (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C22H17NO3F2 |
| Smiles | OC(c1c(CCC/C2=C\c(cc3)ccc3OC(F)F)c2nc2ccccc12)=O |
| InChI | InChI=1S/C22H17F2NO3/c23-22(24)28-15-10-8-13(9-11-15)12-14-4-3-6-17-19(21(26)27)16-5-1-2-7-18(16)25-20(14)17/h1-2,5,7-12,22H,3-4,6H2,(H,26,27) |
| InChIK | KALDDSYHOFURCX-UHFFFAOYSA-N |
| TotalMolweight | 381.377 |
| Molweight | 381.377 |
| MonoisotopicMass | 381.11765 |
| CLogP | 4.3377 |
| CLogS | -5.435 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.17 |
| Relative PSA | 0.16936 |
| PolarSurfaceArea | 59.42 |
| Druglikeness | -5.8135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid | 2 - (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
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