(Z)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile
Formula:C19H13N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C19H13N2Cl |
| Smiles | N#C/C(/c1ccccc1)=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H13ClN2/c20-17-8-10-18(11-9-17)22-12-4-7-19(22)13-16(14-21)15-5-2-1-3-6-15/h1-13H |
| InChIK | CIQJNCYGAAAPMY-UHFFFAOYSA-N |
| TotalMolweight | 304.779 |
| Molweight | 304.779 |
| MonoisotopicMass | 304.076725 |
| CLogP | 4.1775 |
| CLogS | -6.702 |
| H Acceptors | 2 |
| TotalSurfaceArea | 243.82 |
| Relative PSA | 0.083791 |
| PolarSurfaceArea | 28.72 |
| Druglikeness | -2.9865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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