4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine
Formula:C24H21N2O5Br
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine is a drug-like molecule.
| MolName | 4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine |
| MolecularFormula | C24H21N2O5Br |
| Smiles | [O-][N+](c(cc1)cc(C2N3CCOCC3)c1O/C2=C\COc(ccc1ccccc11)c1Br)=O |
| InChI | InChI=1S/C24H21BrN2O5/c25-23-18-4-2-1-3-16(18)5-7-21(23)31-12-9-22-24(26-10-13-30-14-11-26)19-15-17(27(28)29)6-8-20(19)32-22/h1-9,15,24H,10-14H2/t24-/m1/s1 |
| InChIK | ZTMQNHWQGYRVGS-XMMPIXPASA-N |
| TotalMolweight | 497.344 |
| Molweight | 497.344 |
| MonoisotopicMass | 496.063384 |
| CLogP | 3.3064 |
| CLogS | -5.732 |
| H Acceptors | 7 |
| TotalSurfaceArea | 329.23 |
| Relative PSA | 0.1943 |
| PolarSurfaceArea | 76.75 |
| Druglikeness | -5.0493 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine | 2 - 4-[(2Z)-2-[2-(1-bromonaphthalen-2-yl)oxyethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine
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