N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
Formula:C17H13N3OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide |
| MolecularFormula | C17H13N3OBrF |
| Smiles | O=C(Cc1c[nH]c2c1cccc2)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C17H13BrFN3O/c18-13-5-6-15(19)12(7-13)10-21-22-17(23)8-11-9-20-16-4-2-1-3-14(11)16/h1-7,9-10,20H,8H2,(H,22,23) |
| InChIK | JRXRDHXTNFQXNN-UHFFFAOYSA-N |
| TotalMolweight | 374.212 |
| Molweight | 374.212 |
| MonoisotopicMass | 373.022601 |
| CLogP | 4.0651 |
| CLogS | -5.359 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 249.9 |
| Relative PSA | 0.20008 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 1.8314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off