[(E)-(1-amino-2-chloroethylidene)amino] benzenesulfonate
Formula:C8H9N2O3ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-(1-amino-2-chloroethylidene)amino] benzenesulfonate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-chloroethylidene)amino] benzenesulfonate |
| MolecularFormula | C8H9N2O3ClS |
| Smiles | N/C(/CCl)=N/OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C8H9ClN2O3S/c9-6-8(10)11-14-15(12,13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11) |
| InChIK | VUSRTTNAPXGTCE-UHFFFAOYSA-N |
| TotalMolweight | 248.689 |
| Molweight | 248.689 |
| MonoisotopicMass | 248.00224 |
| CLogP | 2.0821 |
| CLogS | -1.84 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 172.51 |
| Relative PSA | 0.37888 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | -5.3618 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [(E)-(1-amino-2-chloroethylidene)amino] benzenesulfonate | 2 - [(E)-(1-amino-2-chloroethylidene)amino] benzenesulfonate
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