2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzonitrile
Formula:C16H12N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzonitrile is a drug-like molecule.
| MolName | 2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzonitrile |
| MolecularFormula | C16H12N6 |
| Smiles | N#Cc(cccc1)c1N/C=C/c1nnnn1-c1ccccc1 |
| InChI | InChI=1S/C16H12N6/c17-12-13-6-4-5-9-15(13)18-11-10-16-19-20-21-22(16)14-7-2-1-3-8-14/h1-11,18H |
| InChIK | DHUQBPWUQUHBFZ-UHFFFAOYSA-N |
| TotalMolweight | 288.313 |
| Molweight | 288.313 |
| MonoisotopicMass | 288.112344 |
| CLogP | 1.661 |
| CLogS | -4.054 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 237.93 |
| Relative PSA | 0.27235 |
| PolarSurfaceArea | 79.42 |
| Druglikeness | -3.745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - 2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzonitrile | 2 - 2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzonitrile
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