(7S)-2-hydrazinyl-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula:C11H14N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(7S)-2-hydrazinyl-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | (7S)-2-hydrazinyl-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| MolecularFormula | C11H14N4OS |
| Smiles | C[C@@H](CC1)Cc2c1c(C(NC(NN)=N1)=O)c1s2 |
| InChI | InChI=1S/C11H14N4OS/c1-5-2-3-6-7(4-5)17-10-8(6)9(16)13-11(14-10)15-12/h5H,2-4,12H2,1H3,(H2,13,14,15,16)/t5-/m0/s1 |
| InChIK | RGSQJHTUBKPDCE-YFKPBYRVSA-N |
| TotalMolweight | 250.325 |
| Molweight | 250.325 |
| MonoisotopicMass | 250.088831 |
| CLogP | 0.8543 |
| CLogS | -3.987 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 180.4 |
| Relative PSA | 0.46064 |
| PolarSurfaceArea | 107.75 |
| Druglikeness | 0.84726 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (7S)-2-hydrazinyl-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - (7S)-2-hydrazinyl-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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