2-[[2-bromo-4-[(E)-2-nitroethenyl]phenoxy]methyl]naphthalene
Formula:C19H14NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[2-bromo-4-[(E)-2-nitroethenyl]phenoxy]methyl]naphthalene is a drug-like molecule.
| MolName | 2-[[2-bromo-4-[(E)-2-nitroethenyl]phenoxy]methyl]naphthalene |
| MolecularFormula | C19H14NO3Br |
| Smiles | [O-][N+](/C=C/c(cc1)cc(Br)c1OCc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C19H14BrNO3/c20-18-12-14(9-10-21(22)23)6-8-19(18)24-13-15-5-7-16-3-1-2-4-17(16)11-15/h1-12H,13H2 |
| InChIK | IVICOKVVNMWKLD-UHFFFAOYSA-N |
| TotalMolweight | 384.228 |
| Molweight | 384.228 |
| MonoisotopicMass | 383.015705 |
| CLogP | 4.0375 |
| CLogS | -6.407 |
| H Acceptors | 4 |
| TotalSurfaceArea | 260.18 |
| Relative PSA | 0.15535 |
| PolarSurfaceArea | 55.05 |
| Druglikeness | -8.9321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[2-bromo-4-[(E)-2-nitroethenyl]phenoxy]methyl]naphthalene | 2 - 2-[[2-bromo-4-[(E)-2-nitroethenyl]phenoxy]methyl]naphthalene
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