N-[(Z)-[benzotriazol-1-yl(phenyl)methylidene]amino]aniline
Formula:C19H15N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[benzotriazol-1-yl(phenyl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[benzotriazol-1-yl(phenyl)methylidene]amino]aniline |
| MolecularFormula | C19H15N5 |
| Smiles | c(cc1)ccc1/C(/n1nnc2c1cccc2)=N/Nc1ccccc1 |
| InChI | InChI=1S/C19H15N5/c1-3-9-15(10-4-1)19(22-20-16-11-5-2-6-12-16)24-18-14-8-7-13-17(18)21-23-24/h1-14,20H |
| InChIK | WEIFUBKYIWTMPB-UHFFFAOYSA-N |
| TotalMolweight | 313.363 |
| Molweight | 313.363 |
| MonoisotopicMass | 313.132745 |
| CLogP | 5.8088 |
| CLogS | -5.469 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.53 |
| Relative PSA | 0.20835 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | -2.2381 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[benzotriazol-1-yl(phenyl)methylidene]amino]aniline | 2 - N-[(Z)-[benzotriazol-1-yl(phenyl)methylidene]amino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off