N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]benzamide
Formula:C26H19N2O2Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C26H19N2O2Cl |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Cl)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C26H19ClN2O2/c27-22-13-10-18(11-14-22)16-24(29-25(30)20-7-2-1-3-8-20)26(31)28-23-15-12-19-6-4-5-9-21(19)17-23/h1-17H,(H,28,31)(H,29,30) |
| InChIK | RAXVNYDLFODQQD-UHFFFAOYSA-N |
| TotalMolweight | 426.902 |
| Molweight | 426.902 |
| MonoisotopicMass | 426.113505 |
| CLogP | 6.2242 |
| CLogS | -7.215 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 325.93 |
| Relative PSA | 0.15034 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 3.0405 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off