(2-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C20H21N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | (2-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C20H21N2OBr |
| Smiles | O=C(c(cccc1)c1Br)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C20H21BrN2O/c21-19-11-5-4-10-18(19)20(24)23-15-13-22(14-16-23)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2 |
| InChIK | CLGFRXNPXZFNLL-UHFFFAOYSA-N |
| TotalMolweight | 385.304 |
| Molweight | 385.304 |
| MonoisotopicMass | 384.083724 |
| CLogP | 4.3478 |
| CLogS | -3.502 |
| H Acceptors | 3 |
| TotalSurfaceArea | 271.8 |
| Relative PSA | 0.074099 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 6.3087 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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