5-amino-3-[(Z)-1-cyano-2-(3,5-dichloro-2-phenylmethoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
Formula:C26H17N5OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
5-amino-3-[(Z)-1-cyano-2-(3,5-dichloro-2-phenylmethoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-amino-3-[(Z)-1-cyano-2-(3,5-dichloro-2-phenylmethoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile |
| MolecularFormula | C26H17N5OCl2 |
| Smiles | Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)c1C#N |
| InChI | InChI=1S/C26H17Cl2N5O/c27-20-12-18(25(23(28)13-20)34-16-17-7-3-1-4-8-17)11-19(14-29)24-22(15-30)26(31)33(32-24)21-9-5-2-6-10-21/h1-13H,16,31H2 |
| InChIK | QDTCJJJVGPBFTF-UHFFFAOYSA-N |
| TotalMolweight | 486.361 |
| Molweight | 486.361 |
| MonoisotopicMass | 485.081014 |
| CLogP | 4.6252 |
| CLogS | -7.575 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 371.75 |
| Relative PSA | 0.18892 |
| PolarSurfaceArea | 100.65 |
| Druglikeness | -1.5943 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 5-amino-3-[(Z)-1-cyano-2-(3,5-dichloro-2-phenylmethoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile | 2 - 5-amino-3-[(Z)-1-cyano-2-(3,5-dichloro-2-phenylmethoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
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