1-(3-chlorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
Formula:C19H19N6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3-chlorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine is a drug-like molecule.
| MolName | 1-(3-chlorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine |
| MolecularFormula | C19H19N6Cl |
| Smiles | Clc1cc(N(CC2)CCN2/C=C/c2nnnn2-c2ccccc2)ccc1 |
| InChI | InChI=1S/C19H19ClN6/c20-16-5-4-8-18(15-16)25-13-11-24(12-14-25)10-9-19-21-22-23-26(19)17-6-2-1-3-7-17/h1-10,15H,11-14H2 |
| InChIK | QWKOPGZXRIPKKB-UHFFFAOYSA-N |
| TotalMolweight | 366.855 |
| Molweight | 366.855 |
| MonoisotopicMass | 366.135971 |
| CLogP | 2.5628 |
| CLogS | -3.562 |
| H Acceptors | 6 |
| TotalSurfaceArea | 282.32 |
| Relative PSA | 0.16605 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | 4.3465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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