5-amino-3-[(Z)-1-cyano-2-thiophen-2-ylethenyl]-1-phenylpyrazole-4-carbonitrile
Formula:C17H11N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-3-[(Z)-1-cyano-2-thiophen-2-ylethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-amino-3-[(Z)-1-cyano-2-thiophen-2-ylethenyl]-1-phenylpyrazole-4-carbonitrile |
| MolecularFormula | C17H11N5S |
| Smiles | Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cccs2)c1C#N |
| InChI | InChI=1S/C17H11N5S/c18-10-12(9-14-7-4-8-23-14)16-15(11-19)17(20)22(21-16)13-5-2-1-3-6-13/h1-9H,20H2 |
| InChIK | JMODGIGNKPVJGP-UHFFFAOYSA-N |
| TotalMolweight | 317.375 |
| Molweight | 317.375 |
| MonoisotopicMass | 317.073515 |
| CLogP | 1.9317 |
| CLogS | -4.772 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.33 |
| Relative PSA | 0.31812 |
| PolarSurfaceArea | 119.66 |
| Druglikeness | 0.18882 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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