2,4-difluoro-N-[(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenyl]aniline
Formula:C21H15N5F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,4-difluoro-N-[(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenyl]aniline is a drug-like molecule.
| MolName | 2,4-difluoro-N-[(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenyl]aniline |
| MolecularFormula | C21H15N5F2 |
| Smiles | Fc(cc1)cc(F)c1N/C=C\c1nnnn1-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H15F2N5/c22-17-8-11-20(19(23)14-17)24-13-12-21-25-26-27-28(21)18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-14,24H |
| InChIK | GZSCTHYUSJWVDP-UHFFFAOYSA-N |
| TotalMolweight | 375.381 |
| Molweight | 375.381 |
| MonoisotopicMass | 375.129551 |
| CLogP | 3.6862 |
| CLogS | -5.995 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.68 |
| Relative PSA | 0.1775 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | -0.805 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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