N-[(E)-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)amino]aniline
Formula:C18H17N5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)amino]aniline is a drug-like molecule.
| MolName | N-[(E)-(2-phenyl-6,7-dihydro-5H-benzotriazol-4-ylidene)amino]aniline |
| MolecularFormula | C18H17N5 |
| Smiles | C(Cc1nn(-c2ccccc2)nc11)C/C1=N\Nc1ccccc1 |
| InChI | InChI=1S/C18H17N5/c1-3-8-14(9-4-1)19-20-16-12-7-13-17-18(16)22-23(21-17)15-10-5-2-6-11-15/h1-6,8-11,19H,7,12-13H2 |
| InChIK | WIQJTWDSJXFKQL-UHFFFAOYSA-N |
| TotalMolweight | 303.368 |
| Molweight | 303.368 |
| MonoisotopicMass | 303.148395 |
| CLogP | 4.8585 |
| CLogS | -3.671 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.71 |
| Relative PSA | 0.21422 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | -0.2632 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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