2-carbazol-9-yl-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide
Formula:C22H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-carbazol-9-yl-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-carbazol-9-yl-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H16N4O |
| Smiles | N#Cc1ccc(/C=N\NC(Cn2c(cccc3)c3c3c2cccc3)=O)cc1 |
| InChI | InChI=1S/C22H16N4O/c23-13-16-9-11-17(12-10-16)14-24-25-22(27)15-26-20-7-3-1-5-18(20)19-6-2-4-8-21(19)26/h1-12,14H,15H2,(H,25,27) |
| InChIK | WIAPZDVFKQHLMY-UHFFFAOYSA-N |
| TotalMolweight | 352.396 |
| Molweight | 352.396 |
| MonoisotopicMass | 352.132411 |
| CLogP | 4.0209 |
| CLogS | -5.65 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.86 |
| Relative PSA | 0.20095 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | 1.7582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-carbazol-9-yl-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide | 2 - 2-carbazol-9-yl-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off