3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide
Formula:C14H13N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C14H13N2O3ClS |
| Smiles | N/C(/c1cccc(CS(c(cc2)ccc2Cl)(=O)=O)c1)=N/O |
| InChI | InChI=1S/C14H13ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17) |
| InChIK | JEBLYWBMDYPQRL-UHFFFAOYSA-N |
| TotalMolweight | 324.787 |
| Molweight | 324.787 |
| MonoisotopicMass | 324.03354 |
| CLogP | 2.4605 |
| CLogS | -4.814 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 228.62 |
| Relative PSA | 0.29945 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | -2.9715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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