1,3-bis[(Z)-(4-phenylphenyl)methylideneamino]urea
Formula:C27H22N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-bis[(Z)-(4-phenylphenyl)methylideneamino]urea is not a drug-like molecule.
| MolName | 1,3-bis[(Z)-(4-phenylphenyl)methylideneamino]urea |
| MolecularFormula | C27H22N4O |
| Smiles | O=C(N/N=C\c(cc1)ccc1-c1ccccc1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C27H22N4O/c32-27(30-28-19-21-11-15-25(16-12-21)23-7-3-1-4-8-23)31-29-20-22-13-17-26(18-14-22)24-9-5-2-6-10-24/h1-20H,(H2,30,31,32) |
| InChIK | VRBIEAXXLIBHTF-UHFFFAOYSA-N |
| TotalMolweight | 418.499 |
| Molweight | 418.499 |
| MonoisotopicMass | 418.179361 |
| CLogP | 6.9084 |
| CLogS | -9.002 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 342.73 |
| Relative PSA | 0.17209 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 3.4758 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 19 |
| StereoCon |
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