[(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 4-chlorobenzoate
Formula:C14H12N3O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 4-chlorobenzoate |
| MolecularFormula | C14H12N3O4ClS |
| Smiles | N/C(/CS(c1ncccc1)(=O)=O)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H12ClN3O4S/c15-11-6-4-10(5-7-11)14(19)22-18-12(16)9-23(20,21)13-3-1-2-8-17-13/h1-8H,9H2,(H2,16,18) |
| InChIK | AOJLBVCPTWUHNV-UHFFFAOYSA-N |
| TotalMolweight | 353.785 |
| Molweight | 353.785 |
| MonoisotopicMass | 353.023704 |
| CLogP | 1.5122 |
| CLogS | -3.351 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 248.78 |
| Relative PSA | 0.35923 |
| PolarSurfaceArea | 120.09 |
| Druglikeness | -3.0037 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 4-chlorobenzoate | 2 - [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] 4-chlorobenzoate
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