N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide
Formula:C19H15N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C19H15N4O2Cl |
| Smiles | O=C(c1nccnc1)N/N=C\c1cccc(OCc(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C19H15ClN4O2/c20-16-6-4-14(5-7-16)13-26-17-3-1-2-15(10-17)11-23-24-19(25)18-12-21-8-9-22-18/h1-12H,13H2,(H,24,25) |
| InChIK | CYAUAPZOLPZMJJ-UHFFFAOYSA-N |
| TotalMolweight | 366.807 |
| Molweight | 366.807 |
| MonoisotopicMass | 366.088353 |
| CLogP | 3.2079 |
| CLogS | -4.232 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 283.45 |
| Relative PSA | 0.23972 |
| PolarSurfaceArea | 76.47 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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