1-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-3-cyclohexylurea
Formula:C14H23N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-3-cyclohexylurea is a drug-like molecule.
| MolName | 1-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-3-cyclohexylurea |
| MolecularFormula | C14H23N3O |
| Smiles | O=C(NC1CCCCC1)N/N=C\[C@@H]1CC=CCC1 |
| InChI | InChI=1S/C14H23N3O/c18-14(16-13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1,3,11-13H,2,4-10H2,(H2,16,17,18)/t12-/m1/s1 |
| InChIK | ROKMKIKCKFDGJO-GFCCVEGCSA-N |
| TotalMolweight | 249.357 |
| Molweight | 249.357 |
| MonoisotopicMass | 249.184112 |
| CLogP | 2.3565 |
| CLogS | -4.154 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 213.51 |
| Relative PSA | 0.22233 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -4.1471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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