[(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] 4-chlorobenzoate
Formula:C15H12N2O4ClFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C15H12N2O4ClFS |
| Smiles | N/C(/CS(c(cc1)ccc1F)(=O)=O)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H12ClFN2O4S/c16-11-3-1-10(2-4-11)15(20)23-19-14(18)9-24(21,22)13-7-5-12(17)6-8-13/h1-8H,9H2,(H2,18,19) |
| InChIK | PQQHRENZAQIELQ-UHFFFAOYSA-N |
| TotalMolweight | 370.787 |
| Molweight | 370.787 |
| MonoisotopicMass | 370.019033 |
| CLogP | 2.5165 |
| CLogS | -4.697 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.37 |
| Relative PSA | 0.30581 |
| PolarSurfaceArea | 107.2 |
| Druglikeness | -5.394 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] 4-chlorobenzoate | 2 - [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] 4-chlorobenzoate
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