N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
Formula:C16H11N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C16H11N3OClF |
| Smiles | O=C(c1c[nH]c2c1cccc2)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H11ClFN3O/c17-13-5-3-6-14(18)12(13)9-20-21-16(22)11-8-19-15-7-2-1-4-10(11)15/h1-9,19H,(H,21,22) |
| InChIK | CEGRIOJEQWIABP-UHFFFAOYSA-N |
| TotalMolweight | 315.734 |
| Molweight | 315.734 |
| MonoisotopicMass | 315.057467 |
| CLogP | 3.9478 |
| CLogS | -5.296 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 232.93 |
| Relative PSA | 0.21466 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 4.1339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off