[(Z)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea
Formula:C7H8N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea |
| MolecularFormula | C7H8N6O4S |
| Smiles | NC(N/N=C\CN(C=C(C(N1)=O)[N+]([O-])=O)C1=O)=S |
| InChI | InChI=1S/C7H8N6O4S/c8-6(18)11-9-1-2-12-3-4(13(16)17)5(14)10-7(12)15/h1,3H,2H2,(H3,8,11,18)(H,10,14,15) |
| InChIK | ZJIXYSXDSURNRQ-UHFFFAOYSA-N |
| TotalMolweight | 272.245 |
| Molweight | 272.245 |
| MonoisotopicMass | 272.032774 |
| CLogP | -2.6868 |
| CLogS | -2.214 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 196.85 |
| Relative PSA | 0.69977 |
| PolarSurfaceArea | 177.73 |
| Druglikeness | 1.1363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea | 2 - [(Z)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off