N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Formula:C24H17N2O3Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C24H17N2O3Cl |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C\c(cc1)ccc1Cl)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C24H17ClN2O3/c25-19-10-7-16(8-11-19)14-21(27-24(29)22-6-3-13-30-22)23(28)26-20-12-9-17-4-1-2-5-18(17)15-20/h1-15H,(H,26,28)(H,27,29) |
| InChIK | KVMZVHVPGIQHGZ-UHFFFAOYSA-N |
| TotalMolweight | 416.863 |
| Molweight | 416.863 |
| MonoisotopicMass | 416.09277 |
| CLogP | 5.4129 |
| CLogS | -6.897 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 315.62 |
| Relative PSA | 0.19996 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 2.8889 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(E)-1-(4-chlorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off