[(Z)-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylideneamino]urea
Formula:C14H10N4O2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(Z)-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylideneamino]urea |
| MolecularFormula | C14H10N4O2ClF3 |
| Smiles | NC(N/N=C\c(cc1)ccc1Oc(ncc(C(F)(F)F)c1)c1Cl)=O |
| InChI | InChI=1S/C14H10ClF3N4O2/c15-11-5-9(14(16,17)18)7-20-12(11)24-10-3-1-8(2-4-10)6-21-22-13(19)23/h1-7H,(H3,19,22,23) |
| InChIK | OIZDZLYZIARHHC-UHFFFAOYSA-N |
| TotalMolweight | 358.706 |
| Molweight | 358.706 |
| MonoisotopicMass | 358.044437 |
| CLogP | 3.3357 |
| CLogS | -6.355 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 249.15 |
| Relative PSA | 0.28999 |
| PolarSurfaceArea | 89.6 |
| Druglikeness | -2.9975 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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