(4E)-4-[[4-(carboxymethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C23H19NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[[4-(carboxymethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is a drug-like molecule.
| MolName | (4E)-4-[[4-(carboxymethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C23H19NO5 |
| Smiles | OC(COc1ccc(/C=C2/c3nc4ccccc4c(C(O)=O)c3CCC2)cc1)=O |
| InChI | InChI=1S/C23H19NO5/c25-20(26)13-29-16-10-8-14(9-11-16)12-15-4-3-6-18-21(23(27)28)17-5-1-2-7-19(17)24-22(15)18/h1-2,5,7-12H,3-4,6,13H2,(H,25,26)(H,27,28) |
| InChIK | OGIBDPBTKRONTF-UHFFFAOYSA-N |
| TotalMolweight | 389.406 |
| Molweight | 389.406 |
| MonoisotopicMass | 389.126324 |
| CLogP | 3.2283 |
| CLogS | -4.606 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 290.83 |
| Relative PSA | 0.25187 |
| PolarSurfaceArea | 96.72 |
| Druglikeness | -2.7073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (4E)-4-[[4-(carboxymethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid | 2 - (4E)-4-[[4-(carboxymethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
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