1-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-cyclohexylurea
Formula:C21H24N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-cyclohexylurea is a drug-like molecule.
| MolName | 1-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-cyclohexylurea |
| MolecularFormula | C21H24N3O2Cl |
| Smiles | O=C(NC1CCCCC1)N/N=C\c(cccc1)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H24ClN3O2/c22-18-12-10-16(11-13-18)15-27-20-9-5-4-6-17(20)14-23-25-21(26)24-19-7-2-1-3-8-19/h4-6,9-14,19H,1-3,7-8,15H2,(H2,24,25,26) |
| InChIK | YYWLEEFEJIERTG-UHFFFAOYSA-N |
| TotalMolweight | 385.894 |
| Molweight | 385.894 |
| MonoisotopicMass | 385.155704 |
| CLogP | 4.9966 |
| CLogS | -6.381 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 305.43 |
| Relative PSA | 0.18816 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | -0.20689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-cyclohexylurea | 2 - 1-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-cyclohexylurea
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