1-[(Z)-(4-bromophenyl)methylideneamino]-3-carbamoylurea
Formula:C9H9N4O2Br
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
1-[(Z)-(4-bromophenyl)methylideneamino]-3-carbamoylurea is a drug-like molecule.
| MolName | 1-[(Z)-(4-bromophenyl)methylideneamino]-3-carbamoylurea |
| MolecularFormula | C9H9N4O2Br |
| Smiles | NC(NC(N/N=C\c(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C9H9BrN4O2/c10-7-3-1-6(2-4-7)5-12-14-9(16)13-8(11)15/h1-5H,(H4,11,13,14,15,16) |
| InChIK | LOGRVVGVULBXGN-UHFFFAOYSA-N |
| TotalMolweight | 285.1 |
| Molweight | 285.1 |
| MonoisotopicMass | 283.990887 |
| CLogP | 1.6462 |
| CLogS | -4.109 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 183.59 |
| Relative PSA | 0.41277 |
| PolarSurfaceArea | 96.58 |
| Druglikeness | 2.5821 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-(4-bromophenyl)methylideneamino]-3-carbamoylurea | 2 - 1-[(Z)-(4-bromophenyl)methylideneamino]-3-carbamoylurea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off