N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
Formula:C20H16N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C20H16N3O2Cl |
| Smiles | O=C(c1ncccc1)N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C20H16ClN3O2/c21-18-6-2-1-5-16(18)14-26-17-10-8-15(9-11-17)13-23-24-20(25)19-7-3-4-12-22-19/h1-13H,14H2,(H,24,25) |
| InChIK | ACYRYULKWJHXMT-UHFFFAOYSA-N |
| TotalMolweight | 365.819 |
| Molweight | 365.819 |
| MonoisotopicMass | 365.093104 |
| CLogP | 4.2088 |
| CLogS | -5.027 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.69 |
| Relative PSA | 0.20015 |
| 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 | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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