[(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 4-chlorobenzoate
Formula:C15H8N2O4Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C15H8N2O4Cl2S |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H8Cl2N2O4S/c16-11-3-1-10(2-4-11)15(20)23-19-14(9-18)24(21,22)13-7-5-12(17)6-8-13/h1-8H |
| InChIK | SUXMEZFPHHJYPT-UHFFFAOYSA-N |
| TotalMolweight | 383.211 |
| Molweight | 383.211 |
| MonoisotopicMass | 381.958182 |
| CLogP | 2.8177 |
| CLogS | -4.866 |
| H Acceptors | 6 |
| TotalSurfaceArea | 264.87 |
| Relative PSA | 0.28954 |
| PolarSurfaceArea | 104.97 |
| Druglikeness | -4.2248 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 4-chlorobenzoate | 2 - [(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 4-chlorobenzoate
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