5-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]-2-hydroxybenzoic acid
Formula:C20H16N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]-2-hydroxybenzoic acid is a drug-like molecule.
| MolName | 5-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]-2-hydroxybenzoic acid |
| MolecularFormula | C20H16N2O5S |
| Smiles | OC(c(cc(cc1)N/C(/c2ccccc2)=N/S(c2ccccc2)(=O)=O)c1O)=O |
| InChI | InChI=1S/C20H16N2O5S/c23-18-12-11-15(13-17(18)20(24)25)21-19(14-7-3-1-4-8-14)22-28(26,27)16-9-5-2-6-10-16/h1-13,23H,(H,21,22)(H,24,25) |
| InChIK | SDRMLTKKQZPSGV-UHFFFAOYSA-N |
| TotalMolweight | 396.422 |
| Molweight | 396.422 |
| MonoisotopicMass | 396.077993 |
| CLogP | 2.851 |
| CLogS | -3.937 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 286.24 |
| Relative PSA | 0.31718 |
| PolarSurfaceArea | 124.44 |
| Druglikeness | -7.6739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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