2,4-dinitro-N-[(Z)-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]amino]aniline
Formula:C20H13N4O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]amino]aniline is not a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]amino]aniline |
| MolecularFormula | C20H13N4O4F3 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/c1ccccc1)\c1cccc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C20H13F3N4O4/c21-20(22,23)15-8-4-7-14(11-15)19(13-5-2-1-3-6-13)25-24-17-10-9-16(26(28)29)12-18(17)27(30)31/h1-12,24H |
| InChIK | LQGJJVDKSAGEQV-UHFFFAOYSA-N |
| TotalMolweight | 430.341 |
| Molweight | 430.341 |
| MonoisotopicMass | 430.08889 |
| CLogP | 5.0427 |
| CLogS | -6.623 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 304.01 |
| Relative PSA | 0.27568 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -11.323 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2,4-dinitro-N-[(Z)-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]amino]aniline | 2 - 2,4-dinitro-N-[(Z)-[phenyl-[3-(trifluoromethyl)phenyl]methylidene]amino]aniline
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