1,3-bis[(Z)-(4-fluorophenyl)methylideneamino]urea
Formula:C15H12N4OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-bis[(Z)-(4-fluorophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | 1,3-bis[(Z)-(4-fluorophenyl)methylideneamino]urea |
| MolecularFormula | C15H12N4OF2 |
| Smiles | O=C(N/N=C\c(cc1)ccc1F)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C15H12F2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22) |
| InChIK | YWPDBZZZFFTTCZ-UHFFFAOYSA-N |
| TotalMolweight | 302.283 |
| Molweight | 302.283 |
| MonoisotopicMass | 302.097917 |
| CLogP | 3.7916 |
| CLogS | -5.458 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 235.91 |
| Relative PSA | 0.25001 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 2.1358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - 1,3-bis[(Z)-(4-fluorophenyl)methylideneamino]urea | 2 - 1,3-bis[(Z)-(4-fluorophenyl)methylideneamino]urea
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