(Z)-1-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]-N-[(Z)-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methylideneamino]methanimine
Formula:C20H14N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]-N-[(Z)-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methylideneamino]methanimine is a drug-like molecule.
| MolName | (Z)-1-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]-N-[(Z)-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methylideneamino]methanimine |
| MolecularFormula | C20H14N6Cl2 |
| Smiles | Clc(nccc1)c1-n1c(/C=N\N=C/c2cccn2-c2cccnc2Cl)ccc1 |
| InChI | InChI=1S/C20H14Cl2N6/c21-19-17(7-1-9-23-19)27-11-3-5-15(27)13-25-26-14-16-6-4-12-28(16)18-8-2-10-24-20(18)22/h1-14H |
| InChIK | FNWUDDFMQFIAPY-UHFFFAOYSA-N |
| TotalMolweight | 409.279 |
| Molweight | 409.279 |
| MonoisotopicMass | 408.065698 |
| CLogP | 4.6684 |
| CLogS | -8.214 |
| H Acceptors | 6 |
| TotalSurfaceArea | 308.82 |
| Relative PSA | 0.19008 |
| PolarSurfaceArea | 60.36 |
| Druglikeness | 3.441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (Z)-1-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]-N-[(Z)-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methylideneamino]methanimine | 2 - (Z)-1-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]-N-[(Z)-[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methylideneamino]methanimine
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