N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanimidamide
Formula:C10H11N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanimidamide is a drug-like molecule.
| MolName | N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanimidamide |
| MolecularFormula | C10H11N3S |
| Smiles | N/C=N\c(sc1c2CCCC1)c2C#N |
| InChI | InChI=1S/C10H11N3S/c11-5-8-7-3-1-2-4-9(7)14-10(8)13-6-12/h6H,1-4H2,(H2,12,13) |
| InChIK | YHUBUBKQUQDNGL-UHFFFAOYSA-N |
| TotalMolweight | 205.284 |
| Molweight | 205.284 |
| MonoisotopicMass | 205.067367 |
| CLogP | 1.4214 |
| CLogS | -3.947 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 165.73 |
| Relative PSA | 0.36626 |
| PolarSurfaceArea | 90.41 |
| Druglikeness | -7.6375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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