2-[[(E)-2-nitroethenyl]amino]benzoate
Formula:C9H7N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-2-nitroethenyl]amino]benzoate is a drug-like molecule.
| MolName | 2-[[(E)-2-nitroethenyl]amino]benzoate |
| MolecularFormula | C9H7N2O4 |
| Smiles | [O-]C(c(cccc1)c1N/C=C/[N+]([O-])=O)=O |
| InChI | InChI=1S/C9H8N2O4/c12-9(13)7-3-1-2-4-8(7)10-5-6-11(14)15/h1-6,10H,(H,12,13)/p-1 |
| InChIK | YWPFGPVRLBUCRW-UHFFFAOYSA-M |
| TotalMolweight | 207.165 |
| Molweight | 207.165 |
| MonoisotopicMass | 207.040583 |
| CLogP | -2.6504 |
| CLogS | -2.585 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 160.17 |
| Relative PSA | 0.43204 |
| PolarSurfaceArea | 97.98 |
| Druglikeness | -5.5817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[[(E)-2-nitroethenyl]amino]benzoate | 2 - 2-[[(E)-2-nitroethenyl]amino]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off