N-[(E)-[2-(benzotriazol-2-yl)-1-(4-chlorophenyl)ethylidene]amino]aniline
Formula:C20H16N5Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[2-(benzotriazol-2-yl)-1-(4-chlorophenyl)ethylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[2-(benzotriazol-2-yl)-1-(4-chlorophenyl)ethylidene]amino]aniline |
| MolecularFormula | C20H16N5Cl |
| Smiles | Clc(cc1)ccc1/C(/Cn1nc(cccc2)c2n1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C20H16ClN5/c21-16-12-10-15(11-13-16)20(23-22-17-6-2-1-3-7-17)14-26-24-18-8-4-5-9-19(18)25-26/h1-13,22H,14H2 |
| InChIK | UTJUUWIKUNCGKB-UHFFFAOYSA-N |
| TotalMolweight | 361.835 |
| Molweight | 361.835 |
| MonoisotopicMass | 361.109422 |
| CLogP | 5.8521 |
| CLogS | -4.159 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.71 |
| Relative PSA | 0.18645 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | 3.5304 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[2-(benzotriazol-2-yl)-1-(4-chlorophenyl)ethylidene]amino]aniline | 2 - N-[(E)-[2-(benzotriazol-2-yl)-1-(4-chlorophenyl)ethylidene]amino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off