N-[(Z)-2,4,8,10-tetrazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-3-ylmethylideneamino]aniline
Formula:C14H10N6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-2,4,8,10-tetrazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-3-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | N-[(Z)-2,4,8,10-tetrazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-3-ylmethylideneamino]aniline |
| MolecularFormula | C14H10N6 |
| Smiles | C(c1nc2ncnc3c2n1cc3)=N\Nc1ccccc1 |
| InChI | InChI=1S/C14H10N6/c1-2-4-10(5-3-1)19-17-8-12-18-14-13-11(15-9-16-14)6-7-20(12)13/h1-9,19H |
| InChIK | LDONSLKJEOEZTG-UHFFFAOYSA-N |
| TotalMolweight | 262.275 |
| Molweight | 262.275 |
| MonoisotopicMass | 262.096694 |
| CLogP | 3.4345 |
| CLogS | -4.33 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 200.95 |
| Relative PSA | 0.31764 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 3.3308 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2,4,8,10-tetrazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-3-ylmethylideneamino]aniline | 2 - N-[(Z)-2,4,8,10-tetrazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-3-ylmethylideneamino]aniline
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