N-[(Z)-(4-bromophenyl)methylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
Formula:C13H10N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-1-oxidopyridin-1-ium-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-1-oxidopyridin-1-ium-3-carboxamide |
| MolecularFormula | C13H10N3O2Br |
| Smiles | [O-][n+]1cccc(C(N/N=C\c(cc2)ccc2Br)=O)c1 |
| InChI | InChI=1S/C13H10BrN3O2/c14-12-5-3-10(4-6-12)8-15-16-13(18)11-2-1-7-17(19)9-11/h1-9H,(H,16,18) |
| InChIK | KVSZXHDLHVQBJZ-UHFFFAOYSA-N |
| TotalMolweight | 320.145 |
| Molweight | 320.145 |
| MonoisotopicMass | 318.995638 |
| CLogP | 2.4504 |
| CLogS | -6.144 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 207.67 |
| Relative PSA | 0.24207 |
| PolarSurfaceArea | 66.92 |
| Druglikeness | 1.2534 |
| 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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