1-cyclododecyl-3-[(E)-2-(furan-2-yl)ethenyl]urea
Formula:C19H30N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclododecyl-3-[(E)-2-(furan-2-yl)ethenyl]urea is not a drug-like molecule.
| MolName | 1-cyclododecyl-3-[(E)-2-(furan-2-yl)ethenyl]urea |
| MolecularFormula | C19H30N2O2 |
| Smiles | O=C(NC1CCCCCCCCCCC1)N/C=C/c1ccco1 |
| InChI | InChI=1S/C19H30N2O2/c22-19(20-15-14-18-13-10-16-23-18)21-17-11-8-6-4-2-1-3-5-7-9-12-17/h10,13-17H,1-9,11-12H2,(H2,20,21,22) |
| InChIK | QTLTZFKWWILFFQ-UHFFFAOYSA-N |
| TotalMolweight | 318.459 |
| Molweight | 318.459 |
| MonoisotopicMass | 318.230728 |
| CLogP | 5.0898 |
| CLogS | -5.528 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 280.48 |
| Relative PSA | 0.17852 |
| PolarSurfaceArea | 54.27 |
| Druglikeness | -3.5215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 12 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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