(2-amino-6-chloro-4-nitrophenyl) (E)-2-phenylethenesulfonate
Formula:C14H11N2O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-amino-6-chloro-4-nitrophenyl) (E)-2-phenylethenesulfonate is a drug-like molecule.
| MolName | (2-amino-6-chloro-4-nitrophenyl) (E)-2-phenylethenesulfonate |
| MolecularFormula | C14H11N2O5ClS |
| Smiles | Nc1cc([N+]([O-])=O)cc(Cl)c1OS(/C=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C14H11ClN2O5S/c15-12-8-11(17(18)19)9-13(16)14(12)22-23(20,21)7-6-10-4-2-1-3-5-10/h1-9H,16H2 |
| InChIK | IJYSPMVAVJAHPX-UHFFFAOYSA-N |
| TotalMolweight | 354.769 |
| Molweight | 354.769 |
| MonoisotopicMass | 354.00772 |
| CLogP | 2.0715 |
| CLogS | -5.092 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 245.71 |
| Relative PSA | 0.34297 |
| PolarSurfaceArea | 123.59 |
| Druglikeness | -7.1775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2-amino-6-chloro-4-nitrophenyl) (E)-2-phenylethenesulfonate | 2 - (2-amino-6-chloro-4-nitrophenyl) (E)-2-phenylethenesulfonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off