[4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
Formula:C20H23N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C20H23N4O4 |
| Smiles | O=C(CC[NH+]1CCOCC1)N/N=C\c(cc1)ccc1OC(c1cnccc1)=O |
| InChI | InChI=1S/C20H22N4O4/c25-19(7-9-24-10-12-27-13-11-24)23-22-14-16-3-5-18(6-4-16)28-20(26)17-2-1-8-21-15-17/h1-6,8,14-15H,7,9-13H2,(H,23,25)/p+1 |
| InChIK | IVOHJSSRNNYMTI-UHFFFAOYSA-O |
| TotalMolweight | 383.427 |
| Molweight | 383.427 |
| MonoisotopicMass | 383.171931 |
| CLogP | -0.2054 |
| CLogS | -2.686 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 316.9 |
| Relative PSA | 0.30802 |
| PolarSurfaceArea | 94.32 |
| Druglikeness | 2.02 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate | 2 - [4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
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