1-cyclohexyl-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]urea
Formula:C16H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]urea |
| MolecularFormula | C16H21N3O |
| Smiles | O=C(NC1CCCCC1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C16H21N3O/c20-16(18-15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,13,15H,2,5-6,11-12H2,(H2,18,19,20) |
| InChIK | ZNPCHCXNLMVGCU-UHFFFAOYSA-N |
| TotalMolweight | 271.363 |
| Molweight | 271.363 |
| MonoisotopicMass | 271.168462 |
| CLogP | 3.0608 |
| CLogS | -4.596 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 232.99 |
| Relative PSA | 0.20374 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 0.071667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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