2-[(2Z)-2-hydroxyimino-2-(4-phenylphenyl)ethyl]sulfanylbenzoic acid
Formula:C21H17NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-hydroxyimino-2-(4-phenylphenyl)ethyl]sulfanylbenzoic acid is a drug-like molecule.
| MolName | 2-[(2Z)-2-hydroxyimino-2-(4-phenylphenyl)ethyl]sulfanylbenzoic acid |
| MolecularFormula | C21H17NO3S |
| Smiles | OC(c(cccc1)c1SC/C(/c(cc1)ccc1-c1ccccc1)=N\O)=O |
| InChI | InChI=1S/C21H17NO3S/c23-21(24)18-8-4-5-9-20(18)26-14-19(22-25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,25H,14H2,(H,23,24) |
| InChIK | GOYFAHYMURWRHE-UHFFFAOYSA-N |
| TotalMolweight | 363.436 |
| Molweight | 363.436 |
| MonoisotopicMass | 363.092914 |
| CLogP | 4.9531 |
| CLogS | -6.486 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 277.45 |
| Relative PSA | 0.24595 |
| PolarSurfaceArea | 95.19 |
| Druglikeness | -0.44301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-hydroxyimino-2-(4-phenylphenyl)ethyl]sulfanylbenzoic acid | 2 - 2-[(2Z)-2-hydroxyimino-2-(4-phenylphenyl)ethyl]sulfanylbenzoic acid
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