6-chloro-N-[(Z)-[(E)-3-(furan-3-yl)prop-2-enylidene]amino]pyridin-2-amine
Formula:C12H10N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-[(E)-3-(furan-3-yl)prop-2-enylidene]amino]pyridin-2-amine is a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-[(E)-3-(furan-3-yl)prop-2-enylidene]amino]pyridin-2-amine |
| MolecularFormula | C12H10N3OCl |
| Smiles | Clc1nc(N/N=C\C=C\c2cocc2)ccc1 |
| InChI | InChI=1S/C12H10ClN3O/c13-11-4-1-5-12(15-11)16-14-7-2-3-10-6-8-17-9-10/h1-9H,(H,15,16) |
| InChIK | GWTDVJWNKVBFLG-UHFFFAOYSA-N |
| TotalMolweight | 247.684 |
| Molweight | 247.684 |
| MonoisotopicMass | 247.051239 |
| CLogP | 4.0478 |
| CLogS | -3.328 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 199.61 |
| Relative PSA | 0.24072 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 1.8918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 6-chloro-N-[(Z)-[(E)-3-(furan-3-yl)prop-2-enylidene]amino]pyridin-2-amine | 2 - 6-chloro-N-[(Z)-[(E)-3-(furan-3-yl)prop-2-enylidene]amino]pyridin-2-amine
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