[(E)-[(2E)-2-(furan-2-ylmethylidene)cyclohexylidene]amino]urea
Formula:C12H15N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[(2E)-2-(furan-2-ylmethylidene)cyclohexylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[(2E)-2-(furan-2-ylmethylidene)cyclohexylidene]amino]urea |
| MolecularFormula | C12H15N3O2 |
| Smiles | NC(N/N=C(\CCCC1)/C1=C/c1ccco1)=O |
| InChI | InChI=1S/C12H15N3O2/c13-12(16)15-14-11-6-2-1-4-9(11)8-10-5-3-7-17-10/h3,5,7-8H,1-2,4,6H2,(H3,13,15,16) |
| InChIK | DVJUJZLSGCEUHE-UHFFFAOYSA-N |
| TotalMolweight | 233.27 |
| Molweight | 233.27 |
| MonoisotopicMass | 233.116427 |
| CLogP | 1.8219 |
| CLogS | -3.752 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 189.9 |
| Relative PSA | 0.34434 |
| PolarSurfaceArea | 80.62 |
| Druglikeness | -1.7304 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[(2E)-2-(furan-2-ylmethylidene)cyclohexylidene]amino]urea | 2 - [(E)-[(2E)-2-(furan-2-ylmethylidene)cyclohexylidene]amino]urea
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