[(Z)-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
Formula:C13H9N4O4F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea |
| MolecularFormula | C13H9N4O4F3 |
| Smiles | NC(N/N=C\c1ccc(-c(ccc(C(F)(F)F)c2)c2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C13H9F3N4O4/c14-13(15,16)7-1-3-9(10(5-7)20(22)23)11-4-2-8(24-11)6-18-19-12(17)21/h1-6H,(H3,17,19,21) |
| InChIK | ILAVOLCZGILKLB-UHFFFAOYSA-N |
| TotalMolweight | 342.232 |
| Molweight | 342.232 |
| MonoisotopicMass | 342.05759 |
| CLogP | 2.0009 |
| CLogS | -5.512 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 238.33 |
| Relative PSA | 0.40201 |
| PolarSurfaceArea | 126.44 |
| Druglikeness | -5.9076 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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