[(Z)-(5-bromonaphthalen-1-yl)methylideneamino]urea
Formula:C12H10N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(Z)-(5-bromonaphthalen-1-yl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(5-bromonaphthalen-1-yl)methylideneamino]urea |
| MolecularFormula | C12H10N3OBr |
| Smiles | NC(N/N=C\c1c(cccc2Br)c2ccc1)=O |
| InChI | InChI=1S/C12H10BrN3O/c13-11-6-2-4-9-8(3-1-5-10(9)11)7-15-16-12(14)17/h1-7H,(H3,14,16,17) |
| InChIK | OTNGJJRIIKJRHD-UHFFFAOYSA-N |
| TotalMolweight | 292.135 |
| Molweight | 292.135 |
| MonoisotopicMass | 291.000723 |
| CLogP | 3.0549 |
| CLogS | -5.254 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 188.98 |
| Relative PSA | 0.27135 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 2.5067 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(5-bromonaphthalen-1-yl)methylideneamino]urea | 2 - [(Z)-(5-bromonaphthalen-1-yl)methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off