4-[[(4Z)-4-(benzenesulfonylimino)-1-oxonaphthalen-2-yl]amino]benzoic acid
Formula:C23H16N2O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[[(4Z)-4-(benzenesulfonylimino)-1-oxonaphthalen-2-yl]amino]benzoic acid is a drug-like molecule.
| MolName | 4-[[(4Z)-4-(benzenesulfonylimino)-1-oxonaphthalen-2-yl]amino]benzoic acid |
| MolecularFormula | C23H16N2O5S |
| Smiles | OC(c(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N/S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C23H16N2O5S/c26-22-19-9-5-4-8-18(19)20(25-31(29,30)17-6-2-1-3-7-17)14-21(22)24-16-12-10-15(11-13-16)23(27)28/h1-14,24H,(H,27,28) |
| InChIK | FKIZXQTYONDVEX-UHFFFAOYSA-N |
| TotalMolweight | 432.455 |
| Molweight | 432.455 |
| MonoisotopicMass | 432.077993 |
| CLogP | 2.9916 |
| CLogS | -5.377 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 308.85 |
| Relative PSA | 0.29377 |
| PolarSurfaceArea | 121.28 |
| Druglikeness | -6.5166 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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