2-(4-bromophenyl)-N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxoethanimine oxide
Formula:C13H13N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenyl)-N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxoethanimine oxide is a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxoethanimine oxide |
| MolecularFormula | C13H13N2O3Br |
| Smiles | [O-]/[N+](/C(CCC1)/C1=N\O)=C\C(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C13H13BrN2O3/c14-10-6-4-9(5-7-10)13(17)8-16(19)12-3-1-2-11(12)15-18/h4-8,12,18H,1-3H2/b15-11-,16-8?/t12-/m0/s1 |
| InChIK | FNFRELLIMRSRID-AMVSPOCRSA-N |
| TotalMolweight | 325.161 |
| Molweight | 325.161 |
| MonoisotopicMass | 324.010954 |
| CLogP | 1.9677 |
| CLogS | -2.01 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 209.87 |
| Relative PSA | 0.26221 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -7.5941 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-(4-bromophenyl)-N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxoethanimine oxide | 2 - 2-(4-bromophenyl)-N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxoethanimine oxide
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