3-phenothiazin-10-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
Formula:C28H29N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-phenothiazin-10-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one is not a drug-like molecule.
| MolName | 3-phenothiazin-10-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one |
| MolecularFormula | C28H29N3OS |
| Smiles | O=C(CCN1c(cccc2)c2Sc2c1cccc2)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C28H29N3OS/c32-28(30-21-19-29(20-22-30)17-8-11-23-9-2-1-3-10-23)16-18-31-24-12-4-6-14-26(24)33-27-15-7-5-13-25(27)31/h1-15H,16-22H2 |
| InChIK | CKCURQZTNLBQKQ-UHFFFAOYSA-N |
| TotalMolweight | 455.624 |
| Molweight | 455.624 |
| MonoisotopicMass | 455.203132 |
| CLogP | 5.909 |
| CLogS | -5.456 |
| H Acceptors | 4 |
| TotalSurfaceArea | 354.74 |
| Relative PSA | 0.11609 |
| PolarSurfaceArea | 52.09 |
| Druglikeness | 8.3709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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