(E)-3-(4-phenylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C30H20N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-phenylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-(4-phenylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C30H20N2S |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C30H20N2S/c31-20-28(19-22-11-13-25(14-12-22)23-7-3-1-4-8-23)30-32-29(21-33-30)27-17-15-26(16-18-27)24-9-5-2-6-10-24/h1-19,21H |
| InChIK | HITRUSYCCDBSQW-UHFFFAOYSA-N |
| TotalMolweight | 440.569 |
| Molweight | 440.569 |
| MonoisotopicMass | 440.134718 |
| CLogP | 7.2313 |
| CLogS | -8.609 |
| H Acceptors | 2 |
| TotalSurfaceArea | 353.42 |
| Relative PSA | 0.12702 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -1.6505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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