5-[[(E)-N-(4-fluorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-2-hydroxybenzoic acid
Formula:C20H15N2O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[(E)-N-(4-fluorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-2-hydroxybenzoic acid is a drug-like molecule.
| MolName | 5-[[(E)-N-(4-fluorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-2-hydroxybenzoic acid |
| MolecularFormula | C20H15N2O5FS |
| Smiles | OC(c(cc(cc1)N/C(/c2ccccc2)=N/S(c(cc2)ccc2F)(=O)=O)c1O)=O |
| InChI | InChI=1S/C20H15FN2O5S/c21-14-6-9-16(10-7-14)29(27,28)23-19(13-4-2-1-3-5-13)22-15-8-11-18(24)17(12-15)20(25)26/h1-12,24H,(H,22,23)(H,25,26) |
| InChIK | CAAAEKDFVFUEQL-UHFFFAOYSA-N |
| TotalMolweight | 414.412 |
| Molweight | 414.412 |
| MonoisotopicMass | 414.068571 |
| CLogP | 2.9518 |
| CLogS | -4.251 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 292.59 |
| Relative PSA | 0.3103 |
| PolarSurfaceArea | 124.44 |
| Druglikeness | -2.4924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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