3-[4-[(Z)-hydroxyiminomethyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanenitrile
Formula:C19H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(Z)-hydroxyiminomethyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanenitrile is a drug-like molecule.
| MolName | 3-[4-[(Z)-hydroxyiminomethyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanenitrile |
| MolecularFormula | C19H16N4O |
| Smiles | N#CCCn(cc1/C=N\O)nc1-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C19H16N4O/c20-11-4-12-23-14-18(13-21-24)19(22-23)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,13-14,24H,4,12H2 |
| InChIK | CFDUAHOCHWNHJY-UHFFFAOYSA-N |
| TotalMolweight | 316.363 |
| Molweight | 316.363 |
| MonoisotopicMass | 316.132411 |
| CLogP | 3.642 |
| CLogS | -5.369 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.08 |
| Relative PSA | 0.21453 |
| PolarSurfaceArea | 74.2 |
| Druglikeness | -3.4848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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