2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone
Formula:C23H14N5OFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone is not a drug-like molecule.
| MolName | 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone |
| MolecularFormula | C23H14N5OFS2 |
| Smiles | O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)N1c(cccc2)c2Sc2c1cccc2 |
| InChI | InChI=1S/C23H14FN5OS2/c24-13-9-10-15-14(11-13)21-22(25-15)26-23(28-27-21)31-12-20(30)29-16-5-1-3-7-18(16)32-19-8-4-2-6-17(19)29/h1-11H,12H2,(H,25,26,28) |
| InChIK | QTWYKIWFACGCAM-UHFFFAOYSA-N |
| TotalMolweight | 459.528 |
| Molweight | 459.528 |
| MonoisotopicMass | 459.062378 |
| CLogP | 5.2725 |
| CLogS | -7.76 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 317.47 |
| Relative PSA | 0.31017 |
| PolarSurfaceArea | 125.37 |
| Druglikeness | 0.85131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone | 2 - 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off