N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-nitroaniline
Formula:C13H9N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-nitroaniline |
| MolecularFormula | C13H9N3O2ClF |
| Smiles | [O-][N+](c1cccc(N/N=C\c(c(F)ccc2)c2Cl)c1)=O |
| InChI | InChI=1S/C13H9ClFN3O2/c14-12-5-2-6-13(15)11(12)8-16-17-9-3-1-4-10(7-9)18(19)20/h1-8,17H |
| InChIK | VUMWJNQANIAVDK-UHFFFAOYSA-N |
| TotalMolweight | 293.684 |
| Molweight | 293.684 |
| MonoisotopicMass | 293.036732 |
| CLogP | 4.6261 |
| CLogS | -4.659 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 214.68 |
| Relative PSA | 0.2487 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -4.4442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-nitroaniline | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-nitroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off