1-(2-chlorophenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazine
Formula:C15H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2-chlorophenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazine is a drug-like molecule.
| MolName | 1-(2-chlorophenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazine |
| MolecularFormula | C15H16N3O3Cl |
| Smiles | [O-][N+](c1ccc(CN(CC2)CCN2c(cccc2)c2Cl)o1)=O |
| InChI | InChI=1S/C15H16ClN3O3/c16-13-3-1-2-4-14(13)18-9-7-17(8-10-18)11-12-5-6-15(22-12)19(20)21/h1-6H,7-11H2 |
| InChIK | ONBUDKLINWBEKL-UHFFFAOYSA-N |
| TotalMolweight | 321.763 |
| Molweight | 321.763 |
| MonoisotopicMass | 321.088019 |
| CLogP | 1.1541 |
| CLogS | -3.947 |
| H Acceptors | 6 |
| TotalSurfaceArea | 237.7 |
| Relative PSA | 0.21721 |
| PolarSurfaceArea | 65.44 |
| Druglikeness | 1.9874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-(2-chlorophenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazine | 2 - 1-(2-chlorophenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazine
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