[(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea
Formula:C13H9N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea is a drug-like molecule.
| MolName | [(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea |
| MolecularFormula | C13H9N3O2 |
| Smiles | NC(N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O)=O |
| InChI | InChI=1S/C13H9N3O2/c14-13(18)16-15-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)17/h1-6H,(H3,14,16,18) |
| InChIK | NOBUQYNQKFLBQV-UHFFFAOYSA-N |
| TotalMolweight | 239.233 |
| Molweight | 239.233 |
| MonoisotopicMass | 239.069477 |
| CLogP | 1.7676 |
| CLogS | -5.01 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 172.81 |
| Relative PSA | 0.3722 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 4.0946 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea | 2 - [(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off