1-cyclohexyl-3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
Formula:C21H25N3OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-cyclohexyl-3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C21H25N3OS |
| Smiles | S=C(NC1CCCCC1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H25N3OS/c26-21(23-19-11-5-2-6-12-19)24-22-15-18-10-7-13-20(14-18)25-16-17-8-3-1-4-9-17/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2,(H2,23,24,26) |
| InChIK | AFGIQMNQHRKDPO-UHFFFAOYSA-N |
| TotalMolweight | 367.516 |
| Molweight | 367.516 |
| MonoisotopicMass | 367.171832 |
| CLogP | 4.7873 |
| CLogS | -5.729 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 304.97 |
| Relative PSA | 0.2375 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | -2.8742 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| StereoCon |
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