2-benzylsulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Formula:C24H20N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 2-benzylsulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| MolecularFormula | C24H20N2S |
| Smiles | N#Cc1c(/C=C\c2ccccc2)c(CCC2)c2nc1SCc1ccccc1 |
| InChI | InChI=1S/C24H20N2S/c25-16-22-20(15-14-18-8-3-1-4-9-18)21-12-7-13-23(21)26-24(22)27-17-19-10-5-2-6-11-19/h1-6,8-11,14-15H,7,12-13,17H2 |
| InChIK | NIFCFECVMACLAR-UHFFFAOYSA-N |
| TotalMolweight | 368.503 |
| Molweight | 368.503 |
| MonoisotopicMass | 368.134718 |
| CLogP | 5.6289 |
| CLogS | -6.768 |
| H Acceptors | 2 |
| TotalSurfaceArea | 298.78 |
| Relative PSA | 0.14064 |
| PolarSurfaceArea | 61.98 |
| Druglikeness | -7.916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-benzylsulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile | 2 - 2-benzylsulfanyl-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
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