[(2-phenylethanehydrazonoyl)amino]thiourea
Formula:C9H13N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2-phenylethanehydrazonoyl)amino]thiourea is a drug-like molecule.
| MolName | [(2-phenylethanehydrazonoyl)amino]thiourea |
| MolecularFormula | C9H13N5S |
| Smiles | NC(NN/C(/Cc1ccccc1)=N\N)=S |
| InChI | InChI=1S/C9H13N5S/c10-9(15)14-13-8(12-11)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)(H3,10,14,15) |
| InChIK | JTUPEICVTAAZMJ-UHFFFAOYSA-N |
| TotalMolweight | 223.303 |
| Molweight | 223.303 |
| MonoisotopicMass | 223.089165 |
| CLogP | -0.08 |
| CLogS | -2.905 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 182.66 |
| Relative PSA | 0.50898 |
| PolarSurfaceArea | 120.55 |
| Druglikeness | -0.65606 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(2-phenylethanehydrazonoyl)amino]thiourea | 2 - [(2-phenylethanehydrazonoyl)amino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off