N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
Formula:C20H16N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline |
| MolecularFormula | C20H16N3O3F |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cccc1)c1OCc(cc1)ccc1F)=O |
| InChI | InChI=1S/C20H16FN3O3/c21-17-7-5-15(6-8-17)14-27-20-4-2-1-3-16(20)13-22-23-18-9-11-19(12-10-18)24(25)26/h1-13,23H,14H2 |
| InChIK | WDUXFPUAENQNQJ-UHFFFAOYSA-N |
| TotalMolweight | 365.363 |
| Molweight | 365.363 |
| MonoisotopicMass | 365.11757 |
| CLogP | 5.3682 |
| CLogS | -5.264 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 282.78 |
| Relative PSA | 0.22417 |
| PolarSurfaceArea | 79.44 |
| Druglikeness | -4.9199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline | 2 - N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off