N-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
Formula:C14H15N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide |
| MolecularFormula | C14H15N4O3Br |
| Smiles | Cc1ccnn1CC(NN=Cc1cc(Br)cc(OC)c1O)=O |
| InChI | InChI=1S/C14H15BrN4O3/c1-9-3-4-17-19(9)8-13(20)18-16-7-10-5-11(15)6-12(22-2)14(10)21/h3-7,21H,8H2,1-2H3,(H,18,20) |
| InChIK | SUVYGYMVOJFFRX-UHFFFAOYSA-N |
| TotalMolweight | 367.202 |
| Molweight | 367.202 |
| MonoisotopicMass | 366.032752 |
| CLogP | 1.4659 |
| CLogS | -2.879 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 248.21 |
| Relative PSA | 0.31002 |
| PolarSurfaceArea | 88.74 |
| Druglikeness | 4.4871 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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