(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C23H19NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid is a drug-like molecule.
| MolName | (4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C23H19NO4 |
| Smiles | OC(c1c(CCC/C2=C\c(cc3)cc4c3OCCO4)c2nc2ccccc12)=O |
| InChI | InChI=1S/C23H19NO4/c25-23(26)21-16-5-1-2-7-18(16)24-22-15(4-3-6-17(21)22)12-14-8-9-19-20(13-14)28-11-10-27-19/h1-2,5,7-9,12-13H,3-4,6,10-11H2,(H,25,26) |
| InChIK | YDZSJEUTILALHL-UHFFFAOYSA-N |
| TotalMolweight | 373.407 |
| Molweight | 373.407 |
| MonoisotopicMass | 373.131409 |
| CLogP | 4.1471 |
| CLogS | -4.995 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.99 |
| Relative PSA | 0.20618 |
| PolarSurfaceArea | 68.65 |
| Druglikeness | -10.17 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid | 2 - (4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
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