3-chloro-N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]propanamide
Formula:C17H16NO2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-chloro-N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]propanamide is a drug-like molecule.
| MolName | 3-chloro-N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]propanamide |
| MolecularFormula | C17H16NO2Cl |
| Smiles | ON(C(CCCl)=O)c1ccc(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C17H16ClNO2/c18-13-12-17(20)19(21)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-11,21H,12-13H2 |
| InChIK | HLTOUEACAWDBGJ-UHFFFAOYSA-N |
| TotalMolweight | 301.772 |
| Molweight | 301.772 |
| MonoisotopicMass | 301.086956 |
| CLogP | 3.9298 |
| CLogS | -4.251 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.86 |
| Relative PSA | 0.12535 |
| PolarSurfaceArea | 40.54 |
| Druglikeness | -1.4258 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 3-chloro-N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]propanamide | 2 - 3-chloro-N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off