N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
Formula:C25H19N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide |
| MolecularFormula | C25H19N3O2Cl2 |
| Smiles | O=C(c(cc1)ccc1-n1cccc1)N/N=C\c1cccc(OCc(c(Cl)ccc2)c2Cl)c1 |
| InChI | InChI=1S/C25H19Cl2N3O2/c26-23-7-4-8-24(27)22(23)17-32-21-6-3-5-18(15-21)16-28-29-25(31)19-9-11-20(12-10-19)30-13-1-2-14-30/h1-16H,17H2,(H,29,31) |
| InChIK | PXDUELUXSOBJQX-UHFFFAOYSA-N |
| TotalMolweight | 464.351 |
| Molweight | 464.351 |
| MonoisotopicMass | 463.085431 |
| CLogP | 5.9466 |
| CLogS | -8.847 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 350.31 |
| Relative PSA | 0.15095 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 4.761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide | 2 - N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off