(Z)-2-nitro-3-phenyl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C22H17NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-nitro-3-phenyl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-2-nitro-3-phenyl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C22H17NO4 |
| Smiles | [O-][N+](/C(/C(c(cccc1)c1OCc1ccccc1)=O)=C\c1ccccc1)=O |
| InChI | InChI=1S/C22H17NO4/c24-22(20(23(25)26)15-17-9-3-1-4-10-17)19-13-7-8-14-21(19)27-16-18-11-5-2-6-12-18/h1-15H,16H2 |
| InChIK | YCACQXHKQXEQDT-UHFFFAOYSA-N |
| TotalMolweight | 359.38 |
| Molweight | 359.38 |
| MonoisotopicMass | 359.115759 |
| CLogP | 3.8801 |
| CLogS | -5.539 |
| H Acceptors | 5 |
| TotalSurfaceArea | 282.67 |
| Relative PSA | 0.18913 |
| PolarSurfaceArea | 72.12 |
| Druglikeness | -5.5209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-nitro-3-phenyl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one | 2 - (Z)-2-nitro-3-phenyl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off