(4E)-4-[(4-carboxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C22H17NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(4-carboxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is a drug-like molecule.
| MolName | (4E)-4-[(4-carboxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C22H17NO4 |
| Smiles | OC(c1ccc(/C=C2/c3nc4ccccc4c(C(O)=O)c3CCC2)cc1)=O |
| InChI | InChI=1S/C22H17NO4/c24-21(25)14-10-8-13(9-11-14)12-15-4-3-6-17-19(22(26)27)16-5-1-2-7-18(16)23-20(15)17/h1-2,5,7-12H,3-4,6H2,(H,24,25)(H,26,27) |
| InChIK | WBTPHUWGHSXADZ-UHFFFAOYSA-N |
| TotalMolweight | 359.38 |
| Molweight | 359.38 |
| MonoisotopicMass | 359.115759 |
| CLogP | 3.6534 |
| CLogS | -4.826 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.07 |
| Relative PSA | 0.23683 |
| PolarSurfaceArea | 87.49 |
| Druglikeness | -3.1742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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