1-[(Z)-furan-3-ylmethylideneamino]-3-[(Z)-(5-nitrofuran-3-yl)methylideneamino]urea
Formula:C11H9N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-furan-3-ylmethylideneamino]-3-[(Z)-(5-nitrofuran-3-yl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-[(Z)-furan-3-ylmethylideneamino]-3-[(Z)-(5-nitrofuran-3-yl)methylideneamino]urea |
| MolecularFormula | C11H9N5O5 |
| Smiles | [O-][N+](c1cc(/C=N\NC(N/N=C\c2cocc2)=O)co1)=O |
| InChI | InChI=1S/C11H9N5O5/c17-11(14-12-4-8-1-2-20-6-8)15-13-5-9-3-10(16(18)19)21-7-9/h1-7H,(H2,14,15,17) |
| InChIK | OGRLQDJIGYQYLU-UHFFFAOYSA-N |
| TotalMolweight | 291.222 |
| Molweight | 291.222 |
| MonoisotopicMass | 291.06037 |
| CLogP | 1.2892 |
| CLogS | -5.131 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 226.26 |
| Relative PSA | 0.51984 |
| PolarSurfaceArea | 137.95 |
| Druglikeness | -2.0181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-furan-3-ylmethylideneamino]-3-[(Z)-(5-nitrofuran-3-yl)methylideneamino]urea | 2 - 1-[(Z)-furan-3-ylmethylideneamino]-3-[(Z)-(5-nitrofuran-3-yl)methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off