[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]urea
Formula:C10H7N3OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]urea |
| MolecularFormula | C10H7N3OF6 |
| Smiles | NC(N/N=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C10H7F6N3O/c11-9(12,13)6-1-5(4-18-19-8(17)20)2-7(3-6)10(14,15)16/h1-4H,(H3,17,19,20) |
| InChIK | FMEIOIBWQZXLSY-UHFFFAOYSA-N |
| TotalMolweight | 299.174 |
| Molweight | 299.174 |
| MonoisotopicMass | 299.04933 |
| CLogP | 2.8319 |
| CLogS | -4.37 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 194.67 |
| Relative PSA | 0.26342 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | -2.8933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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