(1E)-2,6-dichloro-N-[(4-nitrophenyl)methoxy]benzenecarboximidoyl cyanide
Formula:C15H9N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2,6-dichloro-N-[(4-nitrophenyl)methoxy]benzenecarboximidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2,6-dichloro-N-[(4-nitrophenyl)methoxy]benzenecarboximidoyl cyanide |
| MolecularFormula | C15H9N3O3Cl2 |
| Smiles | N#C/C(/c(c(Cl)ccc1)c1Cl)=N/OCc(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C15H9Cl2N3O3/c16-12-2-1-3-13(17)15(12)14(8-18)19-23-9-10-4-6-11(7-5-10)20(21)22/h1-7H,9H2 |
| InChIK | ALFKLULWWSNHCR-UHFFFAOYSA-N |
| TotalMolweight | 350.16 |
| Molweight | 350.16 |
| MonoisotopicMass | 349.002096 |
| CLogP | 3.3096 |
| CLogS | -6.082 |
| H Acceptors | 6 |
| TotalSurfaceArea | 255.97 |
| Relative PSA | 0.25585 |
| PolarSurfaceArea | 91.2 |
| Druglikeness | -8.4418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (1E)-2,6-dichloro-N-[(4-nitrophenyl)methoxy]benzenecarboximidoyl cyanide | 2 - (1E)-2,6-dichloro-N-[(4-nitrophenyl)methoxy]benzenecarboximidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off