[4-[(Z)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonate
Formula:C9H11N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonate |
| MolecularFormula | C9H11N4O3S2 |
| Smiles | NC(N/N=C\c(cc1)ccc1NCS([O-])(=O)=O)=S |
| InChI | InChI=1S/C9H12N4O3S2/c10-9(17)13-12-5-7-1-3-8(4-2-7)11-6-18(14,15)16/h1-5,11H,6H2,(H3,10,13,17)(H,14,15,16)/p-1 |
| InChIK | AWOXGYYSZKLPKY-UHFFFAOYSA-M |
| TotalMolweight | 287.343 |
| Molweight | 287.343 |
| MonoisotopicMass | 287.027256 |
| CLogP | -2.1285 |
| CLogS | -3.05 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 212.04 |
| Relative PSA | 0.56857 |
| PolarSurfaceArea | 160.11 |
| Druglikeness | -3.1036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonate | 2 - [4-[(Z)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off