2-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethyl]sulfanylbenzoic acid
Formula:C15H12NO3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethyl]sulfanylbenzoic acid is a drug-like molecule.
| MolName | 2-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethyl]sulfanylbenzoic acid |
| MolecularFormula | C15H12NO3FS |
| Smiles | OC(c(cccc1)c1SC/C(/c(cc1)ccc1F)=N/O)=O |
| InChI | InChI=1S/C15H12FNO3S/c16-11-7-5-10(6-8-11)13(17-20)9-21-14-4-2-1-3-12(14)15(18)19/h1-8,20H,9H2,(H,18,19) |
| InChIK | FLIVYPMQKWVLIW-UHFFFAOYSA-N |
| TotalMolweight | 305.328 |
| Molweight | 305.328 |
| MonoisotopicMass | 305.052192 |
| CLogP | 3.3947 |
| CLogS | -4.714 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 224.04 |
| Relative PSA | 0.30459 |
| PolarSurfaceArea | 95.19 |
| Druglikeness | -1.783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethyl]sulfanylbenzoic acid | 2 - 2-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethyl]sulfanylbenzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off