1-cyclohexyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
Formula:C14H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea |
| MolecularFormula | C14H19N3O2 |
| Smiles | Oc1cccc(/C=N\NC(NC2CCCCC2)=O)c1 |
| InChI | InChI=1S/C14H19N3O2/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h4-5,8-10,12,18H,1-3,6-7H2,(H2,16,17,19) |
| InChIK | UDHXMHHRNQDBDF-UHFFFAOYSA-N |
| TotalMolweight | 261.324 |
| Molweight | 261.324 |
| MonoisotopicMass | 261.147727 |
| CLogP | 2.6968 |
| CLogS | -4.008 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 212.84 |
| Relative PSA | 0.28458 |
| PolarSurfaceArea | 73.72 |
| Druglikeness | -0.0081314 |
| 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 | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 1-cyclohexyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea | 2 - 1-cyclohexyl-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
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