[(Z)-(3-nitrophenyl)methylideneamino] 4-(trifluoromethyl)benzoate
Formula:C15H9N2O4F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(3-nitrophenyl)methylideneamino] 4-(trifluoromethyl)benzoate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] 4-(trifluoromethyl)benzoate |
| MolecularFormula | C15H9N2O4F3 |
| Smiles | [O-][N+](c1cccc(/C=N\OC(c2ccc(C(F)(F)F)cc2)=O)c1)=O |
| InChI | InChI=1S/C15H9F3N2O4/c16-15(17,18)12-6-4-11(5-7-12)14(21)24-19-9-10-2-1-3-13(8-10)20(22)23/h1-9H |
| InChIK | RBZIURDKTZTKST-UHFFFAOYSA-N |
| TotalMolweight | 338.24 |
| Molweight | 338.24 |
| MonoisotopicMass | 338.051442 |
| CLogP | 3.8448 |
| CLogS | -5.009 |
| H Acceptors | 6 |
| TotalSurfaceArea | 238.66 |
| Relative PSA | 0.27223 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -15.677 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(3-nitrophenyl)methylideneamino] 4-(trifluoromethyl)benzoate | 2 - [(Z)-(3-nitrophenyl)methylideneamino] 4-(trifluoromethyl)benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off