4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-chloro-3H-1-benzofuran-3-yl]morpholine
Formula:C24H21NO3BrCl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-chloro-3H-1-benzofuran-3-yl]morpholine is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-chloro-3H-1-benzofuran-3-yl]morpholine |
| MolecularFormula | C24H21NO3BrCl |
| Smiles | Clc(cc1)cc(C2N3CCOCC3)c1O/C2=C\COc(ccc1ccccc11)c1Br |
| InChI | InChI=1S/C24H21BrClNO3/c25-23-18-4-2-1-3-16(18)5-7-21(23)29-12-9-22-24(27-10-13-28-14-11-27)19-15-17(26)6-8-20(19)30-22/h1-9,15,24H,10-14H2/t24-/m1/s1 |
| InChIK | SXNXVAMGGXTULY-XMMPIXPASA-N |
| TotalMolweight | 486.792 |
| Molweight | 486.792 |
| MonoisotopicMass | 485.039332 |
| CLogP | 5.7605 |
| CLogS | -6.008 |
| H Acceptors | 4 |
| TotalSurfaceArea | 320.98 |
| Relative PSA | 0.10452 |
| PolarSurfaceArea | 30.93 |
| Druglikeness | 0.079503 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-chloro-3H-1-benzofuran-3-yl]morpholine | 2 - 4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-chloro-3H-1-benzofuran-3-yl]morpholine
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