4-[(2Z)-2-[(5E)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonic acid
Formula:C18H14N4O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(2Z)-2-[(5E)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(5E)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonic acid |
| MolecularFormula | C18H14N4O5S |
| Smiles | OS(c(cc1)ccc1N/N=C(/C=CC(/C1=N\Nc2ccccc2)=O)\C1=O)(=O)=O |
| InChI | InChI=1S/C18H14N4O5S/c23-16-11-10-15(18(24)17(16)22-20-12-4-2-1-3-5-12)21-19-13-6-8-14(9-7-13)28(25,26)27/h1-11,19-20H,(H,25,26,27) |
| InChIK | ZXHGYODRRIYZMN-UHFFFAOYSA-N |
| TotalMolweight | 398.398 |
| Molweight | 398.398 |
| MonoisotopicMass | 398.068491 |
| CLogP | 3.2097 |
| CLogS | -1.554 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 285.31 |
| Relative PSA | 0.39851 |
| PolarSurfaceArea | 145.67 |
| Druglikeness | 0.95753 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-[(5E)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonic acid | 2 - 4-[(2Z)-2-[(5E)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off