(E)-3-(4-nitrophenyl)prop-2-enoate
Formula:C9H6NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-nitrophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(4-nitrophenyl)prop-2-enoate |
| MolecularFormula | C9H6NO4 |
| Smiles | [O-]C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/p-1 |
| InChIK | XMMRNCHTDONGRJ-UHFFFAOYSA-M |
| TotalMolweight | 192.15 |
| Molweight | 192.15 |
| MonoisotopicMass | 192.029684 |
| CLogP | -1.5237 |
| CLogS | -2.459 |
| H Acceptors | 5 |
| TotalSurfaceArea | 148.71 |
| Relative PSA | 0.38827 |
| PolarSurfaceArea | 85.95 |
| Druglikeness | -5.7577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-nitrophenyl)prop-2-enoate | 2 - (E)-3-(4-nitrophenyl)prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off