N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
Formula:C20H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline |
| MolecularFormula | C20H16N3O3Cl |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cccc1)c1OCc(cccc1)c1Cl)=O |
| InChI | InChI=1S/C20H16ClN3O3/c21-19-7-3-1-6-16(19)14-27-20-8-4-2-5-15(20)13-22-23-17-9-11-18(12-10-17)24(25)26/h1-13,23H,14H2 |
| InChIK | XCGISFZYLIMLES-UHFFFAOYSA-N |
| TotalMolweight | 381.818 |
| Molweight | 381.818 |
| MonoisotopicMass | 381.088019 |
| CLogP | 5.8734 |
| CLogS | -5.686 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.85 |
| Relative PSA | 0.2172 |
| PolarSurfaceArea | 79.44 |
| Druglikeness | -3.5151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline | 2 - N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off