N-[(Z)-[2-(4-bromoimidazol-1-yl)-1-(2-bromopyridin-4-yl)ethylidene]amino]-2-chloroaniline
Formula:C16H12N5Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(4-bromoimidazol-1-yl)-1-(2-bromopyridin-4-yl)ethylidene]amino]-2-chloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-(4-bromoimidazol-1-yl)-1-(2-bromopyridin-4-yl)ethylidene]amino]-2-chloroaniline |
| MolecularFormula | C16H12N5Br2Cl |
| Smiles | Clc(cccc1)c1N/N=C(\Cn1cnc(Br)c1)/c1cc(Br)ncc1 |
| InChI | InChI=1S/C16H12Br2ClN5/c17-15-7-11(5-6-20-15)14(8-24-9-16(18)21-10-24)23-22-13-4-2-1-3-12(13)19/h1-7,9-10,22H,8H2 |
| InChIK | KFJXCKAEJNRFDM-UHFFFAOYSA-N |
| TotalMolweight | 469.567 |
| Molweight | 469.567 |
| MonoisotopicMass | 466.914794 |
| CLogP | 5.2605 |
| CLogS | -3.759 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.37 |
| Relative PSA | 0.18468 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | 1.1274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-(4-bromoimidazol-1-yl)-1-(2-bromopyridin-4-yl)ethylidene]amino]-2-chloroaniline | 2 - N-[(Z)-[2-(4-bromoimidazol-1-yl)-1-(2-bromopyridin-4-yl)ethylidene]amino]-2-chloroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off