[(E)-[1-amino-3-(2,4-difluoroanilino)-3-oxopropylidene]amino] 4-chlorobenzenesulfonate
Formula:C15H12N3O4ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-3-(2,4-difluoroanilino)-3-oxopropylidene]amino] 4-chlorobenzenesulfonate is a drug-like molecule.
| MolName | [(E)-[1-amino-3-(2,4-difluoroanilino)-3-oxopropylidene]amino] 4-chlorobenzenesulfonate |
| MolecularFormula | C15H12N3O4ClF2S |
| Smiles | N/C(/CC(Nc(ccc(F)c1)c1F)=O)=N/OS(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C15H12ClF2N3O4S/c16-9-1-4-11(5-2-9)26(23,24)25-21-14(19)8-15(22)20-13-6-3-10(17)7-12(13)18/h1-7H,8H2,(H2,19,21)(H,20,22) |
| InChIK | UHMITYTVAMHUBJ-UHFFFAOYSA-N |
| TotalMolweight | 403.792 |
| Molweight | 403.792 |
| MonoisotopicMass | 403.02051 |
| CLogP | 3.5009 |
| CLogS | -4.047 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 274.18 |
| Relative PSA | 0.32774 |
| PolarSurfaceArea | 119.23 |
| Druglikeness | 1.3187 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-amino-3-(2,4-difluoroanilino)-3-oxopropylidene]amino] 4-chlorobenzenesulfonate | 2 - [(E)-[1-amino-3-(2,4-difluoroanilino)-3-oxopropylidene]amino] 4-chlorobenzenesulfonate
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