N-[(E)-[2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethylidene]amino]aniline
Formula:C26H21N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethylidene]amino]aniline |
| MolecularFormula | C26H21N5 |
| Smiles | C(/C(/c(cc1)ccc1-c1ccccc1)=N/Nc1ccccc1)n1nnc2c1cccc2 |
| InChI | InChI=1S/C26H21N5/c1-3-9-20(10-4-1)21-15-17-22(18-16-21)25(28-27-23-11-5-2-6-12-23)19-31-26-14-8-7-13-24(26)29-30-31/h1-18,27H,19H2 |
| InChIK | YEKVTGBRISDRJY-UHFFFAOYSA-N |
| TotalMolweight | 403.488 |
| Molweight | 403.488 |
| MonoisotopicMass | 403.179695 |
| CLogP | 6.5237 |
| CLogS | -6.384 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.05 |
| Relative PSA | 0.16078 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | -1.0157 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethylidene]amino]aniline | 2 - N-[(E)-[2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethylidene]amino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off