N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
Formula:C14H8N3O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H8N3O2F5 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C\c(ccc(F)c1)c1F)=O |
| InChI | InChI=1S/C14H8F5N3O2/c15-10-3-1-8(11(16)6-10)7-20-21-12-4-2-9(14(17,18)19)5-13(12)22(23)24/h1-7,21H |
| InChIK | XIXKRWIIHBVBEI-UHFFFAOYSA-N |
| TotalMolweight | 345.227 |
| Molweight | 345.227 |
| MonoisotopicMass | 345.053667 |
| CLogP | 4.9692 |
| CLogS | -5.015 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 235.07 |
| Relative PSA | 0.22712 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -10.322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
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