(Z)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Formula:C21H25N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine |
| MolecularFormula | C21H25N6O2 |
| Smiles | [O-][N+](c1ccc(/C=N\N=C(\C(C2)(C3)C[NH+]4C[NH+]3C[NH+]2C4)/c2ccccc2)cc1)=O |
| InChI | InChI=1S/C21H22N6O2/c28-27(29)19-8-6-17(7-9-19)10-22-23-20(18-4-2-1-3-5-18)21-11-24-14-25(12-21)16-26(13-21)15-24/h1-10H,11-16H2/p+3 |
| InChIK | DKFFGARAMRDSAH-UHFFFAOYSA-Q |
| TotalMolweight | 393.47 |
| Molweight | 393.47 |
| MonoisotopicMass | 393.203899 |
| CLogP | 1.235 |
| CLogS | -4.953 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 329.91 |
| Relative PSA | 0.32194 |
| PolarSurfaceArea | 83.86 |
| Druglikeness | -3.2272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 10 |
| BasicNitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine | 2 - (Z)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methanimine
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