N-[(Z)-(2-chlorophenyl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
Formula:C13H10N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide |
| MolecularFormula | C13H10N3O2Cl |
| Smiles | [O-][n+](cc1)ccc1C(N/N=C\c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C13H10ClN3O2/c14-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-17(19)8-6-10/h1-9H,(H,16,18) |
| InChIK | BZONYPRLCMAWKH-UHFFFAOYSA-N |
| TotalMolweight | 275.694 |
| Molweight | 275.694 |
| MonoisotopicMass | 275.046154 |
| CLogP | 2.3312 |
| CLogS | -6.046 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 204.46 |
| Relative PSA | 0.24587 |
| PolarSurfaceArea | 66.92 |
| Druglikeness | 3.0567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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