3-chloro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
Formula:C15H12N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline is a drug-like molecule.
| MolName | 3-chloro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline |
| MolecularFormula | C15H12N5Cl |
| Smiles | Clc1cc(N/C=C/c2nnnn2-c2ccccc2)ccc1 |
| InChI | InChI=1S/C15H12ClN5/c16-12-5-4-6-13(11-12)17-10-9-15-18-19-20-21(15)14-7-2-1-3-8-14/h1-11,17H |
| InChIK | GCALQKFZNZQCPE-UHFFFAOYSA-N |
| TotalMolweight | 297.748 |
| Molweight | 297.748 |
| MonoisotopicMass | 297.078122 |
| CLogP | 2.4314 |
| CLogS | -4.017 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.64 |
| Relative PSA | 0.22121 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | 0.55408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| 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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