[(Z)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]urea
Formula:C13H11N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]urea |
| MolecularFormula | C13H11N4OF3 |
| Smiles | NC(N/N=C\c1cccn1-c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C13H11F3N4O/c14-13(15,16)9-3-5-10(6-4-9)20-7-1-2-11(20)8-18-19-12(17)21/h1-8H,(H3,17,19,21) |
| InChIK | UAFUNPARVRCHDL-UHFFFAOYSA-N |
| TotalMolweight | 296.251 |
| Molweight | 296.251 |
| MonoisotopicMass | 296.088495 |
| CLogP | 2.2225 |
| CLogS | -5.929 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 214.17 |
| Relative PSA | 0.27151 |
| PolarSurfaceArea | 72.41 |
| Druglikeness | -1.6657 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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