N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-3-nitropyridin-2-amine
Formula:C10H6N4O3BrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-3-nitropyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-3-nitropyridin-2-amine |
| MolecularFormula | C10H6N4O3BrI |
| Smiles | [O-][N+](c1cccnc1N/N=C\c(o1)cc(Br)c1I)=O |
| InChI | InChI=1S/C10H6BrIN4O3/c11-7-4-6(19-9(7)12)5-14-15-10-8(16(17)18)2-1-3-13-10/h1-5H,(H,13,15) |
| InChIK | SUTBLZAGHYJWOF-UHFFFAOYSA-N |
| TotalMolweight | 436.987 |
| Molweight | 436.987 |
| MonoisotopicMass | 435.8668 |
| CLogP | 3.7182 |
| CLogS | -4.634 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 226.27 |
| Relative PSA | 0.3468 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | -7.7587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 1,2-dihalo-alkene; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-3-nitropyridin-2-amine | 2 - N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-3-nitropyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off