N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C14H11N6O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C14H11N6O2Br |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C14H11BrN6O2/c15-12-7-6-11(23-12)8-16-17-13(22)9-21-19-14(18-20-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22) |
| InChIK | CCJKZOGIHVVNGO-UHFFFAOYSA-N |
| TotalMolweight | 375.185 |
| Molweight | 375.185 |
| MonoisotopicMass | 374.012685 |
| CLogP | 2.5242 |
| CLogS | -4.068 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 254.31 |
| Relative PSA | 0.35351 |
| PolarSurfaceArea | 98.2 |
| Druglikeness | -0.35324 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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