3-[(Z,3Z)-1-cyano-3-(phenylhydrazinylidene)prop-1-enyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
Formula:C24H17N7
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-[(Z,3Z)-1-cyano-3-(phenylhydrazinylidene)prop-1-enyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile is not a drug-like molecule.
| MolName | 3-[(Z,3Z)-1-cyano-3-(phenylhydrazinylidene)prop-1-enyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile |
| MolecularFormula | C24H17N7 |
| Smiles | N#C/C(/c(c(C#N)c1-n2cccc2)nn1-c1ccccc1)=C\C=N/Nc1ccccc1 |
| InChI | InChI=1S/C24H17N7/c25-17-19(13-14-27-28-20-9-3-1-4-10-20)23-22(18-26)24(30-15-7-8-16-30)31(29-23)21-11-5-2-6-12-21/h1-16,28H |
| InChIK | PZUMSQLKQGSBBY-UHFFFAOYSA-N |
| TotalMolweight | 403.448 |
| Molweight | 403.448 |
| MonoisotopicMass | 403.154543 |
| CLogP | 5.0085 |
| CLogS | -5.278 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 334.05 |
| Relative PSA | 0.22392 |
| PolarSurfaceArea | 94.72 |
| Druglikeness | 0.25584 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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