[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 4-chlorobenzenesulfonate
Formula:C14H13N2O5ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 4-chlorobenzenesulfonate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 4-chlorobenzenesulfonate |
| MolecularFormula | C14H13N2O5ClS2 |
| Smiles | N/C(/CS(c1ccccc1)(=O)=O)=N/OS(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C14H13ClN2O5S2/c15-11-6-8-13(9-7-11)24(20,21)22-17-14(16)10-23(18,19)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17) |
| InChIK | IVDWDVDOLVADGX-UHFFFAOYSA-N |
| TotalMolweight | 388.851 |
| Molweight | 388.851 |
| MonoisotopicMass | 387.99544 |
| CLogP | 2.6402 |
| CLogS | -3.456 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 260.85 |
| Relative PSA | 0.36013 |
| PolarSurfaceArea | 132.65 |
| Druglikeness | -11.785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 4-chlorobenzenesulfonate | 2 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 4-chlorobenzenesulfonate
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