3-chloro-4-fluoro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
Formula:C15H11N5ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-4-fluoro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline is a drug-like molecule.
| MolName | 3-chloro-4-fluoro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline |
| MolecularFormula | C15H11N5ClF |
| Smiles | Fc(ccc(N/C=C/c1nnnn1-c1ccccc1)c1)c1Cl |
| InChI | InChI=1S/C15H11ClFN5/c16-13-10-11(6-7-14(13)17)18-9-8-15-19-20-21-22(15)12-4-2-1-3-5-12/h1-10,18H |
| InChIK | YXJUFWJUXDZLIK-UHFFFAOYSA-N |
| TotalMolweight | 315.738 |
| Molweight | 315.738 |
| MonoisotopicMass | 315.0687 |
| CLogP | 2.5322 |
| CLogS | -4.331 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.99 |
| Relative PSA | 0.2153 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | -0.78592 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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