2-(5-aminotetrazol-2-yl)-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C17H16N7O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-2-yl)-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-aminotetrazol-2-yl)-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H16N7O2Br |
| Smiles | Nc1nn(CC(N/N=C\c(cccc2)c2OCc(cc2)ccc2Br)=O)nn1 |
| InChI | InChI=1S/C17H16BrN7O2/c18-14-7-5-12(6-8-14)11-27-15-4-2-1-3-13(15)9-20-21-16(26)10-25-23-17(19)22-24-25/h1-9H,10-11H2,(H2,19,23)(H,21,26) |
| InChIK | AGRCENOVLORUBZ-UHFFFAOYSA-N |
| TotalMolweight | 430.265 |
| Molweight | 430.265 |
| MonoisotopicMass | 429.054884 |
| CLogP | 2.6354 |
| CLogS | -4.166 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 296.9 |
| Relative PSA | 0.34038 |
| PolarSurfaceArea | 120.31 |
| Druglikeness | -1.0127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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