2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-[4-[4-[2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone
Formula:C28H24N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-[4-[4-[2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone is a drug-like molecule.
| MolName | 2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-[4-[4-[2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone |
| MolecularFormula | C28H24N4O4 |
| Smiles | O/N=C\c1ccc[n+](CC(c(cc2)ccc2-c(cc2)ccc2C(C[n+]2cc(/C=N\O)ccc2)=O)=O)c1 |
| InChI | InChI=1S/C28H22N4O4/c33-27(19-31-13-1-3-21(17-31)15-29-35)25-9-5-23(6-10-25)24-7-11-26(12-8-24)28(34)20-32-14-2-4-22(18-32)16-30-36/h1-18H,19-20H2/p+2 |
| InChIK | LPIUQGFYKRZCHB-UHFFFAOYSA-P |
| TotalMolweight | 480.523 |
| Molweight | 480.523 |
| MonoisotopicMass | 480.179756 |
| CLogP | -3.8016 |
| CLogS | -5.478 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 372.38 |
| Relative PSA | 0.21704 |
| PolarSurfaceArea | 107.08 |
| Druglikeness | -0.58087 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 20 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-[4-[4-[2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone | 2 - 2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-[4-[4-[2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone
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