5-amino-3-[(Z)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
Formula:C25H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-3-[(Z)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-amino-3-[(Z)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile |
| MolecularFormula | C25H17N5O |
| Smiles | Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cccc(Oc3ccccc3)c2)c1C#N |
| InChI | InChI=1S/C25H17N5O/c26-16-19(14-18-8-7-13-22(15-18)31-21-11-5-2-6-12-21)24-23(17-27)25(28)30(29-24)20-9-3-1-4-10-20/h1-15H,28H2 |
| InChIK | IUVRBOKAHFTCEP-UHFFFAOYSA-N |
| TotalMolweight | 403.444 |
| Molweight | 403.444 |
| MonoisotopicMass | 403.14331 |
| CLogP | 3.4607 |
| CLogS | -7.059 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 327.15 |
| Relative PSA | 0.21467 |
| PolarSurfaceArea | 100.65 |
| Druglikeness | -1.4435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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