N-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
Formula:C15H11N5BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline is a drug-like molecule.
| MolName | N-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline |
| MolecularFormula | C15H11N5BrCl |
| Smiles | Clc(cc1)ccc1N/C=C/c1nnnn1-c(cc1)ccc1Br |
| InChI | InChI=1S/C15H11BrClN5/c16-11-1-7-14(8-2-11)22-15(19-20-21-22)9-10-18-13-5-3-12(17)4-6-13/h1-10,18H |
| InChIK | YVUJHRVDCMWTIL-UHFFFAOYSA-N |
| TotalMolweight | 376.644 |
| Molweight | 376.644 |
| MonoisotopicMass | 374.988633 |
| CLogP | 3.1566 |
| CLogS | -4.851 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.27 |
| Relative PSA | 0.20474 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | -1.2359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| 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 | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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