N-[(Z)-2-bromo-2-nitroethenyl]-2,4-dichloroaniline
Formula:C8H5N2O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-bromo-2-nitroethenyl]-2,4-dichloroaniline is a drug-like molecule.
| MolName | N-[(Z)-2-bromo-2-nitroethenyl]-2,4-dichloroaniline |
| MolecularFormula | C8H5N2O2BrCl2 |
| Smiles | [O-][N+](/C(/Br)=C/Nc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C8H5BrCl2N2O2/c9-8(13(14)15)4-12-7-2-1-5(10)3-6(7)11/h1-4,12H |
| InChIK | DOUZCXRGEVCWJK-UHFFFAOYSA-N |
| TotalMolweight | 311.95 |
| Molweight | 311.95 |
| MonoisotopicMass | 309.891143 |
| CLogP | 2.337 |
| CLogS | -4.943 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 182.57 |
| Relative PSA | 0.22939 |
| PolarSurfaceArea | 57.85 |
| Druglikeness | -9.3475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-2-bromo-2-nitroethenyl]-2,4-dichloroaniline | 2 - N-[(Z)-2-bromo-2-nitroethenyl]-2,4-dichloroaniline
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