(2Z,4Z)-3,4-diamino-1,6-diphenylhexa-2,4-diene-1,6-dione
Formula:C18H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,4Z)-3,4-diamino-1,6-diphenylhexa-2,4-diene-1,6-dione is a drug-like molecule.
| MolName | (2Z,4Z)-3,4-diamino-1,6-diphenylhexa-2,4-diene-1,6-dione |
| MolecularFormula | C18H16N2O2 |
| Smiles | N/C(/C(/N)=C/C(c1ccccc1)=O)=C\C(c1ccccc1)=O |
| InChI | InChI=1S/C18H16N2O2/c19-15(11-17(21)13-7-3-1-4-8-13)16(20)12-18(22)14-9-5-2-6-10-14/h1-12H,19-20H2 |
| InChIK | BSVADRBQVZFGAY-UHFFFAOYSA-N |
| TotalMolweight | 292.337 |
| Molweight | 292.337 |
| MonoisotopicMass | 292.121178 |
| CLogP | 2.2686 |
| CLogS | -4.254 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 234.98 |
| Relative PSA | 0.24096 |
| PolarSurfaceArea | 86.18 |
| Druglikeness | 0.236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 13 |
| StereoCon |
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