N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
Formula:C23H18N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C23H18N3OF |
| Smiles | O=C(c1ccccc1)N/N=C\c1cn(Cc(cccc2)c2F)c2c1cccc2 |
| InChI | InChI=1S/C23H18FN3O/c24-21-12-6-4-10-18(21)15-27-16-19(20-11-5-7-13-22(20)27)14-25-26-23(28)17-8-2-1-3-9-17/h1-14,16H,15H2,(H,26,28) |
| InChIK | RAJFAGPIURZUMH-UHFFFAOYSA-N |
| TotalMolweight | 371.414 |
| Molweight | 371.414 |
| MonoisotopicMass | 371.14339 |
| CLogP | 4.8321 |
| CLogS | -5.013 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.66 |
| Relative PSA | 0.14753 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 4.8117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide | 2 - N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off