N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-nitroaniline
Formula:C14H11N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-nitroaniline |
| MolecularFormula | C14H11N3O3F2 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cccc1)c1OC(F)F)=O |
| InChI | InChI=1S/C14H11F2N3O3/c15-14(16)22-13-4-2-1-3-10(13)9-17-18-11-5-7-12(8-6-11)19(20)21/h1-9,14,18H |
| InChIK | YMZQJMZDZPPVDL-UHFFFAOYSA-N |
| TotalMolweight | 307.255 |
| Molweight | 307.255 |
| MonoisotopicMass | 307.076848 |
| CLogP | 4.0887 |
| CLogS | -4.231 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 228.11 |
| Relative PSA | 0.27789 |
| PolarSurfaceArea | 79.44 |
| Druglikeness | -5.975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-nitroaniline | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-nitroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off