[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] cyclopropanecarboxylate
Formula:C12H14N2O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C12H14N2O4S |
| Smiles | N/C(/CS(c1ccccc1)(=O)=O)=N/OC(C1CC1)=O |
| InChI | InChI=1S/C12H14N2O4S/c13-11(14-18-12(15)9-6-7-9)8-19(16,17)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,13,14) |
| InChIK | XOJJMAMBCQRNOM-UHFFFAOYSA-N |
| TotalMolweight | 282.319 |
| Molweight | 282.319 |
| MonoisotopicMass | 282.067428 |
| CLogP | 0.684 |
| CLogS | -2.993 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 201.36 |
| Relative PSA | 0.38935 |
| PolarSurfaceArea | 107.2 |
| Druglikeness | -13.612 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] cyclopropanecarboxylate | 2 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] cyclopropanecarboxylate
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