[(Z)-[cyano(thiophen-2-ylsulfonyl)methylidene]amino] 4-chlorobenzenesulfonate
Formula:C12H7N2O5ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[cyano(thiophen-2-ylsulfonyl)methylidene]amino] 4-chlorobenzenesulfonate is a drug-like molecule.
| MolName | [(Z)-[cyano(thiophen-2-ylsulfonyl)methylidene]amino] 4-chlorobenzenesulfonate |
| MolecularFormula | C12H7N2O5ClS3 |
| Smiles | N#C/C(/S(c1cccs1)(=O)=O)=N/OS(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C12H7ClN2O5S3/c13-9-3-5-10(6-4-9)23(18,19)20-15-11(8-14)22(16,17)12-2-1-7-21-12/h1-7H |
| InChIK | GVAOMXDQYNJEPF-UHFFFAOYSA-N |
| TotalMolweight | 390.848 |
| Molweight | 390.848 |
| MonoisotopicMass | 389.92056 |
| CLogP | 2.4253 |
| CLogS | -3.12 |
| H Acceptors | 7 |
| TotalSurfaceArea | 256.22 |
| Relative PSA | 0.43943 |
| PolarSurfaceArea | 158.66 |
| Druglikeness | -2.6621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[cyano(thiophen-2-ylsulfonyl)methylidene]amino] 4-chlorobenzenesulfonate | 2 - [(Z)-[cyano(thiophen-2-ylsulfonyl)methylidene]amino] 4-chlorobenzenesulfonate
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