N'-(4-chlorophenyl)sulfonyl-N-cyanobenzenecarboximidamide
Formula:C14H10N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-chlorophenyl)sulfonyl-N-cyanobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-(4-chlorophenyl)sulfonyl-N-cyanobenzenecarboximidamide |
| MolecularFormula | C14H10N3O2ClS |
| Smiles | N#CN/C(/c1ccccc1)=N\S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C14H10ClN3O2S/c15-12-6-8-13(9-7-12)21(19,20)18-14(17-10-16)11-4-2-1-3-5-11/h1-9H,(H,17,18) |
| InChIK | ZNTBTGNFJDOEJD-UHFFFAOYSA-N |
| TotalMolweight | 319.771 |
| Molweight | 319.771 |
| MonoisotopicMass | 319.018224 |
| CLogP | 2.5704 |
| CLogS | -3.783 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 233.16 |
| Relative PSA | 0.27925 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | 0.44816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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