[(Z)-(3-nitrophenyl)methylideneamino] 2,6-difluorobenzoate
Formula:C14H8N2O4F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(3-nitrophenyl)methylideneamino] 2,6-difluorobenzoate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] 2,6-difluorobenzoate |
| MolecularFormula | C14H8N2O4F2 |
| Smiles | [O-][N+](c1cccc(/C=N\OC(c(c(F)ccc2)c2F)=O)c1)=O |
| InChI | InChI=1S/C14H8F2N2O4/c15-11-5-2-6-12(16)13(11)14(19)22-17-8-9-3-1-4-10(7-9)18(20)21/h1-8H |
| InChIK | WUAJFDGFIRDHKM-UHFFFAOYSA-N |
| TotalMolweight | 306.224 |
| Molweight | 306.224 |
| MonoisotopicMass | 306.045214 |
| CLogP | 3.1981 |
| CLogS | -4.859 |
| H Acceptors | 6 |
| TotalSurfaceArea | 221.9 |
| Relative PSA | 0.29279 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -9.8271 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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