N-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
Formula:C16H11N5OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline is a drug-like molecule.
| MolName | N-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline |
| MolecularFormula | C16H11N5OClF3 |
| Smiles | FC(Oc(cc1)ccc1N/C=C/c1nnnn1-c(cc1)ccc1Cl)(F)F |
| InChI | InChI=1S/C16H11ClF3N5O/c17-11-1-5-13(6-2-11)25-15(22-23-24-25)9-10-21-12-3-7-14(8-4-12)26-16(18,19)20/h1-10,21H |
| InChIK | HZMHKLSBODPVAG-UHFFFAOYSA-N |
| TotalMolweight | 381.744 |
| Molweight | 381.744 |
| MonoisotopicMass | 381.060421 |
| CLogP | 3.5304 |
| CLogS | -5.04 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 271.1 |
| Relative PSA | 0.22589 |
| PolarSurfaceArea | 64.86 |
| Druglikeness | -7.6247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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