1-cyclohexyl-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea
Formula:C20H23N3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-cyclohexyl-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea |
| MolecularFormula | C20H23N3S |
| Smiles | S=C(NC1CCCCC1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C20H23N3S/c24-20(22-19-9-5-2-6-10-19)23-21-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H2,22,23,24) |
| InChIK | CVOCFUFTLUBYFS-UHFFFAOYSA-N |
| TotalMolweight | 337.49 |
| Molweight | 337.49 |
| MonoisotopicMass | 337.161267 |
| CLogP | 5.0984 |
| CLogS | -6.474 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 281.21 |
| Relative PSA | 0.222 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -2.6307 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon |
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