[(Z)-[4-(5-nitrofuran-2-yl)phenyl]methylideneamino]thiourea
Formula:C12H10N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(5-nitrofuran-2-yl)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[4-(5-nitrofuran-2-yl)phenyl]methylideneamino]thiourea |
| MolecularFormula | C12H10N4O3S |
| Smiles | NC(N/N=C\c(cc1)ccc1-c1ccc([N+]([O-])=O)o1)=S |
| InChI | InChI=1S/C12H10N4O3S/c13-12(20)15-14-7-8-1-3-9(4-2-8)10-5-6-11(19-10)16(17)18/h1-7H,(H3,13,15,20) |
| InChIK | KICDHHIQNMTINE-UHFFFAOYSA-N |
| TotalMolweight | 290.302 |
| Molweight | 290.302 |
| MonoisotopicMass | 290.047361 |
| CLogP | 1.8467 |
| CLogS | -5.319 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 223.83 |
| Relative PSA | 0.49488 |
| PolarSurfaceArea | 141.46 |
| Druglikeness | -0.7185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[4-(5-nitrofuran-2-yl)phenyl]methylideneamino]thiourea | 2 - [(Z)-[4-(5-nitrofuran-2-yl)phenyl]methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off