(E,4Z,6E)-4,6-bis(hydroxyimino)-8-phenyloct-7-enoic acid
Formula:C14H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E,4Z,6E)-4,6-bis(hydroxyimino)-8-phenyloct-7-enoic acid is a drug-like molecule.
| MolName | (E,4Z,6E)-4,6-bis(hydroxyimino)-8-phenyloct-7-enoic acid |
| MolecularFormula | C14H16N2O4 |
| Smiles | OC(CC/C(/C/C(/C=C/c1ccccc1)=N\O)=N/O)=O |
| InChI | InChI=1S/C14H16N2O4/c17-14(18)9-8-13(16-20)10-12(15-19)7-6-11-4-2-1-3-5-11/h1-7,19-20H,8-10H2,(H,17,18) |
| InChIK | CPYNZZOMAJOCKF-UHFFFAOYSA-N |
| TotalMolweight | 276.291 |
| Molweight | 276.291 |
| MonoisotopicMass | 276.111008 |
| CLogP | 2.8827 |
| CLogS | -3.403 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 223.78 |
| Relative PSA | 0.33676 |
| PolarSurfaceArea | 102.48 |
| Druglikeness | -1.472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E,4Z,6E)-4,6-bis(hydroxyimino)-8-phenyloct-7-enoic acid | 2 - (E,4Z,6E)-4,6-bis(hydroxyimino)-8-phenyloct-7-enoic acid
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