N-[(Z)-(4-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C13H10N4OBrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C13H10N4OBrF3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C13H10BrF3N4O/c14-10-3-1-9(2-4-10)7-18-19-12(22)8-21-6-5-11(20-21)13(15,16)17/h1-7H,8H2,(H,19,22) |
| InChIK | ZEWALOCFSHKNKM-UHFFFAOYSA-N |
| TotalMolweight | 375.147 |
| Molweight | 375.147 |
| MonoisotopicMass | 373.999006 |
| CLogP | 2.386 |
| CLogS | -3.591 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.8 |
| Relative PSA | 0.22741 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -7.1988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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