N-[(Z)-thiophen-2-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Formula:C14H10N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine |
| MolecularFormula | C14H10N6S |
| Smiles | C(c1cccs1)=N\Nc1nnc(c(cccc2)c2[nH]2)c2n1 |
| InChI | InChI=1S/C14H10N6S/c1-2-6-11-10(5-1)12-13(16-11)17-14(20-18-12)19-15-8-9-4-3-7-21-9/h1-8H,(H2,16,17,19,20) |
| InChIK | JKGBDTXPGCBDLB-UHFFFAOYSA-N |
| TotalMolweight | 294.341 |
| Molweight | 294.341 |
| MonoisotopicMass | 294.068764 |
| CLogP | 4.4466 |
| CLogS | -4.741 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 220.23 |
| Relative PSA | 0.40971 |
| PolarSurfaceArea | 107.09 |
| Druglikeness | 4.2421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-thiophen-2-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine | 2 - N-[(Z)-thiophen-2-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off