10-(1-cyclohexylazetidin-3-yl)phenothiazine
Formula:C21H24N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
10-(1-cyclohexylazetidin-3-yl)phenothiazine is not a drug-like molecule.
| MolName | 10-(1-cyclohexylazetidin-3-yl)phenothiazine |
| MolecularFormula | C21H24N2S |
| Smiles | C(C(C1)N2c(cccc3)c3Sc3c2cccc3)N1C1CCCCC1 |
| InChI | InChI=1S/C21H24N2S/c1-2-8-16(9-3-1)22-14-17(15-22)23-18-10-4-6-12-20(18)24-21-13-7-5-11-19(21)23/h4-7,10-13,16-17H,1-3,8-9,14-15H2 |
| InChIK | CTJQREYISGSSGQ-UHFFFAOYSA-N |
| TotalMolweight | 336.502 |
| Molweight | 336.502 |
| MonoisotopicMass | 336.166018 |
| CLogP | 5.2195 |
| CLogS | -5.593 |
| H Acceptors | 2 |
| TotalSurfaceArea | 251.93 |
| Relative PSA | 0.097606 |
| PolarSurfaceArea | 31.78 |
| Druglikeness | -2.3889 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 9 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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