2-nitro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
Formula:C15H12N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline is a drug-like molecule.
| MolName | 2-nitro-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline |
| MolecularFormula | C15H12N6O2 |
| Smiles | [O-][N+](c(cccc1)c1N/C=C/c1nnnn1-c1ccccc1)=O |
| InChI | InChI=1S/C15H12N6O2/c22-21(23)14-9-5-4-8-13(14)16-11-10-15-17-18-19-20(15)12-6-2-1-3-7-12/h1-11,16H |
| InChIK | KDBNWIFKKHJGEI-UHFFFAOYSA-N |
| TotalMolweight | 308.3 |
| Molweight | 308.3 |
| MonoisotopicMass | 308.102174 |
| CLogP | 0.9038 |
| CLogS | -3.741 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 239.89 |
| Relative PSA | 0.34041 |
| PolarSurfaceArea | 101.45 |
| Druglikeness | -4.7637 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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