[(Z)-[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]urea
Formula:C22H27N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]urea |
| MolecularFormula | C22H27N3O3 |
| Smiles | NC(N/N=C\c1cc(OCCOc2ccc(C3CCCCC3)cc2)ccc1)=O |
| InChI | InChI=1S/C22H27N3O3/c23-22(26)25-24-16-17-5-4-8-21(15-17)28-14-13-27-20-11-9-19(10-12-20)18-6-2-1-3-7-18/h4-5,8-12,15-16,18H,1-3,6-7,13-14H2,(H3,23,25,26) |
| InChIK | CRVODAACVIPCGN-UHFFFAOYSA-N |
| TotalMolweight | 381.474 |
| Molweight | 381.474 |
| MonoisotopicMass | 381.205242 |
| CLogP | 4.6271 |
| CLogS | -5.849 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.83 |
| Relative PSA | 0.22932 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | -7.7993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]urea | 2 - [(Z)-[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]urea
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