1-(3-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
Formula:C9H12N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-(3-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-(3-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea |
| MolecularFormula | C9H12N4O5 |
| Smiles | NC(N(CCCO)/N=C\c1ccc([N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C9H12N4O5/c10-9(15)12(4-1-5-14)11-6-7-2-3-8(18-7)13(16)17/h2-3,6,14H,1,4-5H2,(H2,10,15) |
| InChIK | YRAXXSAIKVEZFO-UHFFFAOYSA-N |
| TotalMolweight | 256.217 |
| Molweight | 256.217 |
| MonoisotopicMass | 256.080771 |
| CLogP | -0.2752 |
| CLogS | -3.039 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 195.58 |
| Relative PSA | 0.51641 |
| PolarSurfaceArea | 137.88 |
| Druglikeness | 2.0225 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(3-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea | 2 - 1-(3-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off