(1Z)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichloroanilino)methanimidoyl cyanide
Formula:C14H8N3O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichloroanilino)methanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichloroanilino)methanimidoyl cyanide |
| MolecularFormula | C14H8N3O2Cl3S |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N/Nc1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C14H8Cl3N3O2S/c15-9-1-3-13(4-2-9)23(21,22)14(8-18)20-19-12-6-10(16)5-11(17)7-12/h1-7,19H |
| InChIK | DVRDSAAXYDHCEI-UHFFFAOYSA-N |
| TotalMolweight | 388.662 |
| Molweight | 388.662 |
| MonoisotopicMass | 386.940278 |
| CLogP | 4.3465 |
| CLogS | -4.98 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264 |
| Relative PSA | 0.24663 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | -6.0008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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