[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]urea
Formula:C9H8N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]urea |
| MolecularFormula | C9H8N3OF3 |
| Smiles | NC(N/N=C\c1c(C(F)(F)F)cccc1)=O |
| InChI | InChI=1S/C9H8F3N3O/c10-9(11,12)7-4-2-1-3-6(7)5-14-15-8(13)16/h1-5H,(H3,13,15,16) |
| InChIK | LFQPGRSFNZYVGH-UHFFFAOYSA-N |
| TotalMolweight | 231.177 |
| Molweight | 231.177 |
| MonoisotopicMass | 231.061946 |
| CLogP | 1.9836 |
| CLogS | -3.592 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 165.21 |
| Relative PSA | 0.31039 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | -2.8933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]urea | 2 - [(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off