3-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid
Formula:C20H16N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid is a drug-like molecule.
| MolName | 3-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid |
| MolecularFormula | C20H16N2O4S |
| Smiles | OC(c1cccc(N/C(/c2ccccc2)=N/S(c2ccccc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C20H16N2O4S/c23-20(24)16-10-7-11-17(14-16)21-19(15-8-3-1-4-9-15)22-27(25,26)18-12-5-2-6-13-18/h1-14H,(H,21,22)(H,23,24) |
| InChIK | AEUFPSGNWFJGKK-UHFFFAOYSA-N |
| TotalMolweight | 380.423 |
| Molweight | 380.423 |
| MonoisotopicMass | 380.083078 |
| CLogP | 3.1967 |
| CLogS | -4.233 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 279.89 |
| Relative PSA | 0.27757 |
| PolarSurfaceArea | 104.21 |
| Druglikeness | -8.4406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid | 2 - 3-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid
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