N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-naphthalen-1-ylacetamide
Formula:C21H17N2OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C21H17N2OBr |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\C=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C21H17BrN2O/c22-19-12-10-16(11-13-19)5-4-14-23-24-21(25)15-18-8-3-7-17-6-1-2-9-20(17)18/h1-14H,15H2,(H,24,25) |
| InChIK | IBEDJGNEYLWQDQ-UHFFFAOYSA-N |
| TotalMolweight | 393.283 |
| Molweight | 393.283 |
| MonoisotopicMass | 392.052424 |
| CLogP | 5.1376 |
| CLogS | -6.418 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 280.48 |
| Relative PSA | 0.12839 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.609 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-naphthalen-1-ylacetamide | 2 - N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-naphthalen-1-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off