(2-oxo-2-phenothiazin-10-ylethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
Formula:C23H16NO3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2-oxo-2-phenothiazin-10-ylethyl) (E)-3-(4-fluorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | (2-oxo-2-phenothiazin-10-ylethyl) (E)-3-(4-fluorophenyl)prop-2-enoate |
| MolecularFormula | C23H16NO3FS |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1F)=O)N1c(cccc2)c2Sc2c1cccc2 |
| InChI | InChI=1S/C23H16FNO3S/c24-17-12-9-16(10-13-17)11-14-23(27)28-15-22(26)25-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)25/h1-14H,15H2 |
| InChIK | UYCHDWANLPDGDP-UHFFFAOYSA-N |
| TotalMolweight | 405.448 |
| Molweight | 405.448 |
| MonoisotopicMass | 405.083492 |
| CLogP | 5.3351 |
| CLogS | -6.411 |
| H Acceptors | 4 |
| TotalSurfaceArea | 299.18 |
| Relative PSA | 0.19092 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | -0.40917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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