[5-(2-chlorophenyl)-2-(4-fluorophenyl)pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C29H26N4OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[5-(2-chlorophenyl)-2-(4-fluorophenyl)pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
| MolName | [5-(2-chlorophenyl)-2-(4-fluorophenyl)pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C29H26N4OClF |
| Smiles | O=C(c1cc(-c(cccc2)c2Cl)nn1-c(cc1)ccc1F)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C29H26ClFN4O/c30-26-11-5-4-10-25(26)27-21-28(35(32-27)24-14-12-23(31)13-15-24)29(36)34-19-17-33(18-20-34)16-6-9-22-7-2-1-3-8-22/h1-15,21H,16-20H2 |
| InChIK | DNMNMCQMEBREHE-UHFFFAOYSA-N |
| TotalMolweight | 501.003 |
| Molweight | 501.003 |
| MonoisotopicMass | 500.177916 |
| CLogP | 5.3024 |
| CLogS | -5.255 |
| H Acceptors | 5 |
| TotalSurfaceArea | 382.42 |
| Relative PSA | 0.099315 |
| PolarSurfaceArea | 41.37 |
| Druglikeness | 8.7989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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