N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[5-(2-cyanophenyl)tetrazol-2-yl]acetamide
Formula:C17H11N8O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[5-(2-cyanophenyl)tetrazol-2-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[5-(2-cyanophenyl)tetrazol-2-yl]acetamide |
| MolecularFormula | C17H11N8O3Br |
| Smiles | N#Cc(cccc1)c1-c1nn(CC(N/N=C\c(cc2)cc([N+]([O-])=O)c2Br)=O)nn1 |
| InChI | InChI=1S/C17H11BrN8O3/c18-14-6-5-11(7-15(14)26(28)29)9-20-21-16(27)10-25-23-17(22-24-25)13-4-2-1-3-12(13)8-19/h1-7,9H,10H2,(H,21,27) |
| InChIK | BOINMXJFPQKHDC-UHFFFAOYSA-N |
| TotalMolweight | 455.231 |
| Molweight | 455.231 |
| MonoisotopicMass | 454.013748 |
| CLogP | 2.1521 |
| CLogS | -5.856 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 310 |
| Relative PSA | 0.38635 |
| PolarSurfaceArea | 154.67 |
| Druglikeness | -10.182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[5-(2-cyanophenyl)tetrazol-2-yl]acetamide | 2 - N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-[5-(2-cyanophenyl)tetrazol-2-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off