3-[(2-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Formula:C16H11N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is a drug-like molecule.
| MolName | 3-[(2-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole |
| MolecularFormula | C16H11N4ClS |
| Smiles | Clc1c(CSc2nnc(c(cccc3)c3[nH]3)c3n2)cccc1 |
| InChI | InChI=1S/C16H11ClN4S/c17-12-7-3-1-5-10(12)9-22-16-19-15-14(20-21-16)11-6-2-4-8-13(11)18-15/h1-8H,9H2,(H,18,19,21) |
| InChIK | BUWZNQAPWHNMKF-UHFFFAOYSA-N |
| TotalMolweight | 326.81 |
| Molweight | 326.81 |
| MonoisotopicMass | 326.039293 |
| CLogP | 3.8387 |
| CLogS | -5.861 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 234.74 |
| Relative PSA | 0.2743 |
| PolarSurfaceArea | 79.76 |
| Druglikeness | -0.072502 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| 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 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 3-[(2-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole | 2 - 3-[(2-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
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