N-[(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline
Formula:C20H9N4O5F9
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C20H9N4O5F9 |
| Smiles | [O-][N+](c1cc(C(F)(F)F)cc([N+]([O-])=O)c1N/N=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)=O |
| InChI | InChI=1S/C20H9F9N4O5/c21-18(22,23)10-3-9(4-11(5-10)19(24,25)26)16-2-1-13(38-16)8-30-31-17-14(32(34)35)6-12(20(27,28)29)7-15(17)33(36)37/h1-8,31H |
| InChIK | OAZQQTCOFLJOEE-UHFFFAOYSA-N |
| TotalMolweight | 556.296 |
| Molweight | 556.296 |
| MonoisotopicMass | 556.042923 |
| CLogP | 6.4815 |
| CLogS | -7.863 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 354.41 |
| Relative PSA | 0.27629 |
| PolarSurfaceArea | 129.17 |
| Druglikeness | -7.9651 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 18 |
| Electronegative Atoms | 18 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 15 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline
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