(NZ)-N-[(5E)-1,5-bis(4-bromophenyl)-5-hydroxyiminopentylidene]hydroxylamine
Formula:C17H16N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(5E)-1,5-bis(4-bromophenyl)-5-hydroxyiminopentylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[(5E)-1,5-bis(4-bromophenyl)-5-hydroxyiminopentylidene]hydroxylamine |
| MolecularFormula | C17H16N2O2Br2 |
| Smiles | O/N=C(\CCC/C(/c(cc1)ccc1Br)=N/O)/c(cc1)ccc1Br |
| InChI | InChI=1S/C17H16Br2N2O2/c18-14-8-4-12(5-9-14)16(20-22)2-1-3-17(21-23)13-6-10-15(19)11-7-13/h4-11,22-23H,1-3H2 |
| InChIK | DVJGYTAHCFTURG-UHFFFAOYSA-N |
| TotalMolweight | 440.134 |
| Molweight | 440.134 |
| MonoisotopicMass | 437.95785 |
| CLogP | 6.1408 |
| CLogS | -6.844 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 270.2 |
| Relative PSA | 0.18216 |
| PolarSurfaceArea | 65.18 |
| Druglikeness | -5.8812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (NZ)-N-[(5E)-1,5-bis(4-bromophenyl)-5-hydroxyiminopentylidene]hydroxylamine | 2 - (NZ)-N-[(5E)-1,5-bis(4-bromophenyl)-5-hydroxyiminopentylidene]hydroxylamine
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