(E)-1-(4-iodophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Formula:C15H10NO3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-iodophenyl)-3-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-iodophenyl)-3-(3-nitrophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10NO3I |
| Smiles | [O-][N+](c1cccc(/C=C/C(c(cc2)ccc2I)=O)c1)=O |
| InChI | InChI=1S/C15H10INO3/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(10-11)17(19)20/h1-10H |
| InChIK | RESBTQZKRPNRKR-UHFFFAOYSA-N |
| TotalMolweight | 379.148 |
| Molweight | 379.148 |
| MonoisotopicMass | 378.970542 |
| CLogP | 2.8193 |
| CLogS | -5.316 |
| H Acceptors | 4 |
| TotalSurfaceArea | 227.22 |
| Relative PSA | 0.19127 |
| PolarSurfaceArea | 62.89 |
| Druglikeness | -4.3512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-iodophenyl)-3-(3-nitrophenyl)prop-2-en-1-one | 2 - (E)-1-(4-iodophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off