N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]pyridine-4-carboxamide
Formula:C21H14N3OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C21H14N3OCl |
| Smiles | O=C(c1ccncc1)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C21H14ClN3O/c22-20-17-7-3-1-5-15(17)19(16-6-2-4-8-18(16)20)13-24-25-21(26)14-9-11-23-12-10-14/h1-13H,(H,25,26) |
| InChIK | RLJMNMVDZWBSMT-UHFFFAOYSA-N |
| TotalMolweight | 359.815 |
| Molweight | 359.815 |
| MonoisotopicMass | 359.082539 |
| CLogP | 5.1955 |
| CLogS | -6.874 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 270.37 |
| Relative PSA | 0.17376 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4715 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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