1-[(Z)-(2-bromophenyl)methylideneamino]-3-cyclohexylurea
Formula:C14H18N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(2-bromophenyl)methylideneamino]-3-cyclohexylurea is a drug-like molecule.
| MolName | 1-[(Z)-(2-bromophenyl)methylideneamino]-3-cyclohexylurea |
| MolecularFormula | C14H18N3OBr |
| Smiles | O=C(NC1CCCCC1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C14H18BrN3O/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2,(H2,17,18,19) |
| InChIK | CJLZKNYXTQNNBM-UHFFFAOYSA-N |
| TotalMolweight | 324.221 |
| Molweight | 324.221 |
| MonoisotopicMass | 323.063323 |
| CLogP | 3.7677 |
| CLogS | -5.138 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 225.12 |
| Relative PSA | 0.21087 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -1.7917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-(2-bromophenyl)methylideneamino]-3-cyclohexylurea | 2 - 1-[(Z)-(2-bromophenyl)methylideneamino]-3-cyclohexylurea
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