N-[(Z)-(2-chlorophenyl)methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline
Formula:C14H8N4O4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H8N4O4ClF3 |
| Smiles | [O-][N+](c1cc(C(F)(F)F)cc([N+]([O-])=O)c1N/N=C\c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C14H8ClF3N4O4/c15-10-4-2-1-3-8(10)7-19-20-13-11(21(23)24)5-9(14(16,17)18)6-12(13)22(25)26/h1-7,20H |
| InChIK | AWDOEYHDIDDVSK-UHFFFAOYSA-N |
| TotalMolweight | 388.689 |
| Molweight | 388.689 |
| MonoisotopicMass | 388.018617 |
| CLogP | 4.452 |
| CLogS | -5.583 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 261.46 |
| Relative PSA | 0.32055 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -10.294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline
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