(E)-2-(4-chloroquinazolin-2-yl)-3-thiophen-2-ylprop-2-enenitrile
Formula:C15H8N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chloroquinazolin-2-yl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chloroquinazolin-2-yl)-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C15H8N3ClS |
| Smiles | N#C/C(/c1nc2ccccc2c(Cl)n1)=C\c1cccs1 |
| InChI | InChI=1S/C15H8ClN3S/c16-14-12-5-1-2-6-13(12)18-15(19-14)10(9-17)8-11-4-3-7-20-11/h1-8H |
| InChIK | ALJTWFPPQCYVKS-UHFFFAOYSA-N |
| TotalMolweight | 297.769 |
| Molweight | 297.769 |
| MonoisotopicMass | 297.012744 |
| CLogP | 3.5458 |
| CLogS | -3.919 |
| H Acceptors | 3 |
| TotalSurfaceArea | 222.92 |
| Relative PSA | 0.25058 |
| PolarSurfaceArea | 77.81 |
| Druglikeness | -2.7133 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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