N-[(Z)-(3-iodophenyl)methylideneamino]-1-phenylmethanesulfonamide
Formula:C14H13N2O2IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-iodophenyl)methylideneamino]-1-phenylmethanesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]-1-phenylmethanesulfonamide |
| MolecularFormula | C14H13N2O2IS |
| Smiles | O=S(Cc1ccccc1)(N/N=C\c1cccc(I)c1)=O |
| InChI | InChI=1S/C14H13IN2O2S/c15-14-8-4-7-13(9-14)10-16-17-20(18,19)11-12-5-2-1-3-6-12/h1-10,17H,11H2 |
| InChIK | HQTSZDJQJULXFM-UHFFFAOYSA-N |
| TotalMolweight | 400.235 |
| Molweight | 400.235 |
| MonoisotopicMass | 399.974246 |
| CLogP | 2.948 |
| CLogS | -4.267 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.86 |
| Relative PSA | 0.21672 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -3.5875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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