pyridin-3-yl (E)-3-(3-nitrophenyl)prop-2-enoate
Formula:C14H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
pyridin-3-yl (E)-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.
| MolName | pyridin-3-yl (E)-3-(3-nitrophenyl)prop-2-enoate |
| MolecularFormula | C14H10N2O4 |
| Smiles | [O-][N+](c1cc(/C=C/C(Oc2cnccc2)=O)ccc1)=O |
| InChI | InChI=1S/C14H10N2O4/c17-14(20-13-5-2-8-15-10-13)7-6-11-3-1-4-12(9-11)16(18)19/h1-10H |
| InChIK | DGRVWZRDRQZBFP-UHFFFAOYSA-N |
| TotalMolweight | 270.243 |
| Molweight | 270.243 |
| MonoisotopicMass | 270.064058 |
| CLogP | 1.4968 |
| CLogS | -3.121 |
| H Acceptors | 6 |
| TotalSurfaceArea | 209.7 |
| Relative PSA | 0.30725 |
| PolarSurfaceArea | 85.01 |
| Druglikeness | -8.1115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - pyridin-3-yl (E)-3-(3-nitrophenyl)prop-2-enoate | 2 - pyridin-3-yl (E)-3-(3-nitrophenyl)prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off