[(Z)-[(8E)-8-(carbamoylhydrazinylidene)-1,8-diphenyloctylidene]amino]urea
Formula:C22H28N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(8E)-8-(carbamoylhydrazinylidene)-1,8-diphenyloctylidene]amino]urea is a drug-like molecule.
| MolName | [(Z)-[(8E)-8-(carbamoylhydrazinylidene)-1,8-diphenyloctylidene]amino]urea |
| MolecularFormula | C22H28N6O2 |
| Smiles | NC(N/N=C(\CCCCCC/C(/c1ccccc1)=N/NC(N)=O)/c1ccccc1)=O |
| InChI | InChI=1S/C22H28N6O2/c23-21(29)27-25-19(17-11-5-3-6-12-17)15-9-1-2-10-16-20(26-28-22(24)30)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H3,23,27,29)(H3,24,28,30) |
| InChIK | MTTFIFPOMXQPCT-UHFFFAOYSA-N |
| TotalMolweight | 408.504 |
| Molweight | 408.504 |
| MonoisotopicMass | 408.227374 |
| CLogP | 3.8956 |
| CLogS | -6.984 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 336.98 |
| Relative PSA | 0.30435 |
| PolarSurfaceArea | 134.96 |
| Druglikeness | -1.9771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [(Z)-[(8E)-8-(carbamoylhydrazinylidene)-1,8-diphenyloctylidene]amino]urea | 2 - [(Z)-[(8E)-8-(carbamoylhydrazinylidene)-1,8-diphenyloctylidene]amino]urea
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