5-amino-3-[(Z)-1-cyano-2-(2,3-dichlorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
Formula:C19H11N5Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-amino-3-[(Z)-1-cyano-2-(2,3-dichlorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-amino-3-[(Z)-1-cyano-2-(2,3-dichlorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile |
| MolecularFormula | C19H11N5Cl2 |
| Smiles | Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cccc(Cl)c2Cl)c1C#N |
| InChI | InChI=1S/C19H11Cl2N5/c20-16-8-4-5-12(17(16)21)9-13(10-22)18-15(11-23)19(24)26(25-18)14-6-2-1-3-7-14/h1-9H,24H2 |
| InChIK | GRHUROXYKKQVAE-UHFFFAOYSA-N |
| TotalMolweight | 380.237 |
| Molweight | 380.237 |
| MonoisotopicMass | 379.039149 |
| CLogP | 3.2771 |
| CLogS | -6.234 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.23 |
| Relative PSA | 0.20897 |
| PolarSurfaceArea | 91.42 |
| Druglikeness | -1.2952 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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