(3Z)-3-(diphenylphosphinothioylhydrazinylidene)-1-azabicyclo[2.2.2]octane
Formula:C19H22N3PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(3Z)-3-(diphenylphosphinothioylhydrazinylidene)-1-azabicyclo[2.2.2]octane is a drug-like molecule.
| MolName | (3Z)-3-(diphenylphosphinothioylhydrazinylidene)-1-azabicyclo[2.2.2]octane |
| MolecularFormula | C19H22N3PS |
| Smiles | S=P(c1ccccc1)(c1ccccc1)N/N=C1/C(CC2)CCN2C1 |
| InChI | InChI=1S/C19H22N3PS/c24-23(17-7-3-1-4-8-17,18-9-5-2-6-10-18)21-20-19-15-22-13-11-16(19)12-14-22/h1-10,16H,11-15H2,(H,21,24) |
| InChIK | FRYOOCQRHROYEC-UHFFFAOYSA-N |
| TotalMolweight | 355.445 |
| Molweight | 355.445 |
| MonoisotopicMass | 355.127204 |
| CLogP | 4.133 |
| CLogS | -4.119 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 270.78 |
| Relative PSA | 0.21604 |
| PolarSurfaceArea | 69.53 |
| Druglikeness | -7.355 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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