N-[(Z)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-2-chloropyridine-3-carboxamide
Formula:C17H19N4O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-2-chloropyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-2-chloropyridine-3-carboxamide |
| MolecularFormula | C17H19N4O2Cl |
| Smiles | O=C(c1cccnc1Cl)N/N=C\c1ccc(N2CCCCCC2)o1 |
| InChI | InChI=1S/C17H19ClN4O2/c18-16-14(6-5-9-19-16)17(23)21-20-12-13-7-8-15(24-13)22-10-3-1-2-4-11-22/h5-9,12H,1-4,10-11H2,(H,21,23) |
| InChIK | KKPFJGBGNCQSDZ-UHFFFAOYSA-N |
| TotalMolweight | 346.817 |
| Molweight | 346.817 |
| MonoisotopicMass | 346.119653 |
| CLogP | 3.6192 |
| CLogS | -4.894 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 270.22 |
| Relative PSA | 0.23921 |
| PolarSurfaceArea | 70.73 |
| Druglikeness | 3.7639 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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