3,5-dinitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C15H9N4O5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,5-dinitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3,5-dinitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H9N4O5F3 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c2c(C(F)(F)F)cccc2)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C15H9F3N4O5/c16-15(17,18)13-4-2-1-3-9(13)8-19-20-14(23)10-5-11(21(24)25)7-12(6-10)22(26)27/h1-8H,(H,20,23) |
| InChIK | ZYSWLRCKZYEPCZ-UHFFFAOYSA-N |
| TotalMolweight | 382.253 |
| Molweight | 382.253 |
| MonoisotopicMass | 382.052505 |
| CLogP | 2.2067 |
| CLogS | -5.419 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 263.79 |
| Relative PSA | 0.36715 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -7.943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3,5-dinitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide | 2 - 3,5-dinitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off