(E)-N-benzyl-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenamine
Formula:C16H14N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenamine is a drug-like molecule.
| MolName | (E)-N-benzyl-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenamine |
| MolecularFormula | C16H14N5Br |
| Smiles | Brc(cc1)ccc1-n1nnnc1/C=C/NCc1ccccc1 |
| InChI | InChI=1S/C16H14BrN5/c17-14-6-8-15(9-7-14)22-16(19-20-21-22)10-11-18-12-13-4-2-1-3-5-13/h1-11,18H,12H2 |
| InChIK | PBVHEJMNFVRXHX-UHFFFAOYSA-N |
| TotalMolweight | 356.226 |
| Molweight | 356.226 |
| MonoisotopicMass | 355.043256 |
| CLogP | 2.26 |
| CLogS | -3.931 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.61 |
| Relative PSA | 0.20611 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | -0.85501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-benzyl-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenamine | 2 - (E)-N-benzyl-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off