1,3-bis[(Z)-(3-phenoxyphenyl)methylideneamino]urea
Formula:C27H22N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-bis[(Z)-(3-phenoxyphenyl)methylideneamino]urea is not a drug-like molecule.
| MolName | 1,3-bis[(Z)-(3-phenoxyphenyl)methylideneamino]urea |
| MolecularFormula | C27H22N4O3 |
| Smiles | O=C(N/N=C\c1cc(Oc2ccccc2)ccc1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H22N4O3/c32-27(30-28-19-21-9-7-15-25(17-21)33-23-11-3-1-4-12-23)31-29-20-22-10-8-16-26(18-22)34-24-13-5-2-6-14-24/h1-20H,(H2,30,31,32) |
| InChIK | IFYRTEGTSXJSCQ-UHFFFAOYSA-N |
| TotalMolweight | 450.497 |
| Molweight | 450.497 |
| MonoisotopicMass | 450.169191 |
| CLogP | 6.3812 |
| CLogS | -9.424 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 362.73 |
| Relative PSA | 0.21774 |
| PolarSurfaceArea | 84.31 |
| Druglikeness | 3.3272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 18 |
| StereoCon |
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