[(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] 3,4-dichlorobenzoate
Formula:C20H15N3O4Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] 3,4-dichlorobenzoate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] 3,4-dichlorobenzoate |
| MolecularFormula | C20H15N3O4Cl2S |
| Smiles | N/C(/c1cc(CS(c2ncccc2)(=O)=O)ccc1)=N/OC(c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C20H15Cl2N3O4S/c21-16-8-7-15(11-17(16)22)20(26)29-25-19(23)14-5-3-4-13(10-14)12-30(27,28)18-6-1-2-9-24-18/h1-11H,12H2,(H2,23,25) |
| InChIK | QIMPGXOEFKHHFW-UHFFFAOYSA-N |
| TotalMolweight | 464.328 |
| Molweight | 464.328 |
| MonoisotopicMass | 463.016031 |
| CLogP | 3.8668 |
| CLogS | -5.974 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.96 |
| Relative PSA | 0.27587 |
| PolarSurfaceArea | 120.09 |
| Druglikeness | -4.7596 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] 3,4-dichlorobenzoate | 2 - [(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] 3,4-dichlorobenzoate
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