benzyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C26H21NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.
| MolName | benzyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C26H21NO3 |
| Smiles | O=C(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)OCc1ccccc1 |
| InChI | InChI=1S/C26H21NO3/c28-26(30-17-18-8-2-1-3-9-18)24-21-12-4-5-14-23(21)27-25-19(10-6-13-22(24)25)16-20-11-7-15-29-20/h1-5,7-9,11-12,14-16H,6,10,13,17H2 |
| InChIK | OJFORRAMYOVPLM-UHFFFAOYSA-N |
| TotalMolweight | 395.457 |
| Molweight | 395.457 |
| MonoisotopicMass | 395.152144 |
| CLogP | 5.203 |
| CLogS | -5.946 |
| H Acceptors | 4 |
| TotalSurfaceArea | 309.83 |
| Relative PSA | 0.15531 |
| PolarSurfaceArea | 52.33 |
| Druglikeness | -3.2026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - benzyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - benzyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off