4-[(2E)-2-[(5Z)-5-[(4-carbamimidoylphenyl)hydrazinylidene]-2,6-dioxoanthracen-1-ylidene]hydrazinyl]benzenecarboximidamide
Formula:C28H22N8O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-[(5Z)-5-[(4-carbamimidoylphenyl)hydrazinylidene]-2,6-dioxoanthracen-1-ylidene]hydrazinyl]benzenecarboximidamide is not a drug-like molecule.
| MolName | 4-[(2E)-2-[(5Z)-5-[(4-carbamimidoylphenyl)hydrazinylidene]-2,6-dioxoanthracen-1-ylidene]hydrazinyl]benzenecarboximidamide |
| MolecularFormula | C28H22N8O2 |
| Smiles | NC(c(cc1)ccc1N/N=C(\c(c(C=C1)c2)cc(C=CC3=O)c2/C3=N/Nc(cc2)ccc2C(N)=N)/C1=O)=N |
| InChI | InChI=1S/C28H22N8O2/c29-27(30)15-1-7-19(8-2-15)33-35-25-21-13-18-6-12-24(38)26(22(18)14-17(21)5-11-23(25)37)36-34-20-9-3-16(4-10-20)28(31)32/h1-14,33-34H,(H3,29,30)(H3,31,32) |
| InChIK | GWTZUCLIPJSSQP-UHFFFAOYSA-N |
| TotalMolweight | 502.537 |
| Molweight | 502.537 |
| MonoisotopicMass | 502.186572 |
| CLogP | 4.9998 |
| CLogS | -4.692 |
| H Acceptors | 10 |
| H Donors | 6 |
| TotalSurfaceArea | 380.8 |
| Relative PSA | 0.35126 |
| PolarSurfaceArea | 182.66 |
| Druglikeness | 3.1173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2E)-2-[(5Z)-5-[(4-carbamimidoylphenyl)hydrazinylidene]-2,6-dioxoanthracen-1-ylidene]hydrazinyl]benzenecarboximidamide | 2 - 4-[(2E)-2-[(5Z)-5-[(4-carbamimidoylphenyl)hydrazinylidene]-2,6-dioxoanthracen-1-ylidene]hydrazinyl]benzenecarboximidamide
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