N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-4-chlorobenzamide
Formula:C22H15N2OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-4-chlorobenzamide is not a drug-like molecule.
| MolName | N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-4-chlorobenzamide |
| MolecularFormula | C22H15N2OClS |
| Smiles | O=C(c(cc1)ccc1Cl)Nc1ccc(/C=C/c2nc(cccc3)c3s2)cc1 |
| InChI | InChI=1S/C22H15ClN2OS/c23-17-10-8-16(9-11-17)22(26)24-18-12-5-15(6-13-18)7-14-21-25-19-3-1-2-4-20(19)27-21/h1-14H,(H,24,26) |
| InChIK | LWWKZMUFMKSMMD-UHFFFAOYSA-N |
| TotalMolweight | 390.893 |
| Molweight | 390.893 |
| MonoisotopicMass | 390.05936 |
| CLogP | 5.6273 |
| CLogS | -6.264 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 293.21 |
| Relative PSA | 0.19041 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 2.3191 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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