[(Z)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
Formula:C19H16N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea |
| MolecularFormula | C19H16N3O2Br |
| Smiles | NC(N/N=C\c(cc(cc1)Br)c1OCc1cccc2ccccc12)=O |
| InChI | InChI=1S/C19H16BrN3O2/c20-16-8-9-18(15(10-16)11-22-23-19(21)24)25-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,21,23,24) |
| InChIK | WLRYTKSEJUFBEF-UHFFFAOYSA-N |
| TotalMolweight | 398.259 |
| Molweight | 398.259 |
| MonoisotopicMass | 397.042588 |
| CLogP | 4.403 |
| CLogS | -6.595 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.5 |
| Relative PSA | 0.22488 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.1006 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea | 2 - [(Z)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off