N-[(Z)-benzylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Formula:C16H12N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine |
| MolecularFormula | C16H12N6 |
| Smiles | C(c1ccccc1)=N\Nc1nc([nH]c2c3cccc2)c3nn1 |
| InChI | InChI=1S/C16H12N6/c1-2-6-11(7-3-1)10-17-21-16-19-15-14(20-22-16)12-8-4-5-9-13(12)18-15/h1-10H,(H2,18,19,21,22) |
| InChIK | ANJYHOJJVBARTQ-UHFFFAOYSA-N |
| TotalMolweight | 288.313 |
| Molweight | 288.313 |
| MonoisotopicMass | 288.112344 |
| CLogP | 4.58 |
| CLogS | -4.731 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 224.29 |
| Relative PSA | 0.31152 |
| PolarSurfaceArea | 78.85 |
| Druglikeness | 2.5594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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