N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C20H15N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H15N3O2Cl2 |
| Smiles | O=C(c1cnccc1)N/N=C\c1cccc(OCc(ccc(Cl)c2)c2Cl)c1 |
| InChI | InChI=1S/C20H15Cl2N3O2/c21-17-7-6-16(19(22)10-17)13-27-18-5-1-3-14(9-18)11-24-25-20(26)15-4-2-8-23-12-15/h1-12H,13H2,(H,25,26) |
| InChIK | SITHIHSTNWQPMC-UHFFFAOYSA-N |
| TotalMolweight | 400.264 |
| Molweight | 400.264 |
| MonoisotopicMass | 399.054131 |
| CLogP | 4.7608 |
| CLogS | -5.739 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.11 |
| Relative PSA | 0.18986 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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