(9Z)-9-hydroxyimino-9-thiophen-2-ylnonanoic acid
Formula:C13H19NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(9Z)-9-hydroxyimino-9-thiophen-2-ylnonanoic acid is a drug-like molecule.
| MolName | (9Z)-9-hydroxyimino-9-thiophen-2-ylnonanoic acid |
| MolecularFormula | C13H19NO3S |
| Smiles | OC(CCCCCCC/C(/c1cccs1)=N/O)=O |
| InChI | InChI=1S/C13H19NO3S/c15-13(16)9-5-3-1-2-4-7-11(14-17)12-8-6-10-18-12/h6,8,10,17H,1-5,7,9H2,(H,15,16) |
| InChIK | OZURAJGTUCHDFH-UHFFFAOYSA-N |
| TotalMolweight | 269.364 |
| Molweight | 269.364 |
| MonoisotopicMass | 269.108564 |
| CLogP | 3.9233 |
| CLogS | -4.05 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 218.94 |
| Relative PSA | 0.32479 |
| PolarSurfaceArea | 98.13 |
| Druglikeness | -9.1809 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 9 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| AcidicOxygens | 1 |
| StereoCon |
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