(4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
Formula:C19H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid is a drug-like molecule.
| MolName | (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid |
| MolecularFormula | C19H15NO3 |
| Smiles | OC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O |
| InChI | InChI=1S/C19H15NO3/c21-19(22)17-14-7-1-2-9-16(14)20-18-12(5-3-8-15(17)18)11-13-6-4-10-23-13/h1-2,4,6-7,9-11H,3,5,8H2,(H,21,22) |
| InChIK | JEPMFTHJOIMUBS-UHFFFAOYSA-N |
| TotalMolweight | 305.332 |
| Molweight | 305.332 |
| MonoisotopicMass | 305.105194 |
| CLogP | 3.357 |
| CLogS | -4.495 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.66 |
| Relative PSA | 0.22015 |
| PolarSurfaceArea | 63.33 |
| Druglikeness | -3.1814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid | 2 - (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
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