| MolName | N-[[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)cyclohexylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine |
| MolecularFormula | C24H20N12 |
| Smiles | C(C/C(/CC1)=N/Nc2nc([nH]c3c4cccc3)c4nn2)/C1=N\Nc1nnc(c(cccc2)c2[nH]2)c2n1 |
| InChI | InChI=1S/C24H20N12/c1-3-7-17-15(5-1)19-21(25-17)27-23(35-31-19)33-29-13-9-11-14(12-10-13)30-34-24-28-22-20(32-36-24)16-6-2-4-8-18(16)26-22/h1-8H,9-12H2,(H2,25,27,33,35)(H2,26,28,34,36) |
| InChIK | LZWGGNYESUCFQT-UHFFFAOYSA-N |
| TotalMolweight | 476.507 |
| Molweight | 476.507 |
| MonoisotopicMass | 476.193388 |
| CLogP | 6.6094 |
| CLogS | -7.036 |
| H Acceptors | 12 |
| H Donors | 4 |
| TotalSurfaceArea | 353.52 |
| Relative PSA | 0.39528 |
| PolarSurfaceArea | 157.7 |
| Druglikeness | 0.5075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| Symmetricatoms | 19 |
| Aromatic Nitrogens | 8 |
| StereoCon |
Click to Load Molecule:
1 - N-[[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)cyclohexylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine | 2 - N-[[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)cyclohexylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine