N'-(4-chlorophenyl)sulfonyl-N-(3-nitrophenyl)benzenecarboximidamide
Formula:C19H14N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-chlorophenyl)sulfonyl-N-(3-nitrophenyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(4-chlorophenyl)sulfonyl-N-(3-nitrophenyl)benzenecarboximidamide |
| MolecularFormula | C19H14N3O4ClS |
| Smiles | [O-][N+](c1cccc(N/C(/c2ccccc2)=N\S(c(cc2)ccc2Cl)(=O)=O)c1)=O |
| InChI | InChI=1S/C19H14ClN3O4S/c20-15-9-11-18(12-10-15)28(26,27)22-19(14-5-2-1-3-6-14)21-16-7-4-8-17(13-16)23(24)25/h1-13H,(H,21,22) |
| InChIK | CPTAQAUPTREQER-UHFFFAOYSA-N |
| TotalMolweight | 415.856 |
| Molweight | 415.856 |
| MonoisotopicMass | 415.039354 |
| CLogP | 3.396 |
| CLogS | -5.416 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.88 |
| Relative PSA | 0.27798 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -2.0832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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