N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-iodobenzamide
Formula:C21H16N2O2ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-iodobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-iodobenzamide |
| MolecularFormula | C21H16N2O2ClI |
| Smiles | O=C(c(cccc1)c1I)N/N=C\c1cc(OCc(cc2)ccc2Cl)ccc1 |
| InChI | InChI=1S/C21H16ClIN2O2/c22-17-10-8-15(9-11-17)14-27-18-5-3-4-16(12-18)13-24-25-21(26)19-6-1-2-7-20(19)23/h1-13H,14H2,(H,25,26) |
| InChIK | AAQCZZAQBKXKQE-UHFFFAOYSA-N |
| TotalMolweight | 490.723 |
| Molweight | 490.723 |
| MonoisotopicMass | 489.994503 |
| CLogP | 5.5928 |
| CLogS | -6.814 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 312.21 |
| Relative PSA | 0.14737 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.5056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-iodobenzamide | 2 - N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-iodobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off