1-[(Z)-(4-cyanophenyl)methylideneamino]-3-cyclohexylthiourea
Formula:C15H18N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(4-cyanophenyl)methylideneamino]-3-cyclohexylthiourea is a drug-like molecule.
| MolName | 1-[(Z)-(4-cyanophenyl)methylideneamino]-3-cyclohexylthiourea |
| MolecularFormula | C15H18N4S |
| Smiles | N#Cc1ccc(/C=N\NC(NC2CCCCC2)=S)cc1 |
| InChI | InChI=1S/C15H18N4S/c16-10-12-6-8-13(9-7-12)11-17-19-15(20)18-14-4-2-1-3-5-14/h6-9,11,14H,1-5H2,(H2,18,19,20) |
| InChIK | FLRPHAWMGFZMDF-UHFFFAOYSA-N |
| TotalMolweight | 286.402 |
| Molweight | 286.402 |
| MonoisotopicMass | 286.125216 |
| CLogP | 3.2748 |
| CLogS | -5.161 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 243.16 |
| Relative PSA | 0.31251 |
| PolarSurfaceArea | 92.3 |
| Druglikeness | -6.9107 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 1-[(Z)-(4-cyanophenyl)methylideneamino]-3-cyclohexylthiourea | 2 - 1-[(Z)-(4-cyanophenyl)methylideneamino]-3-cyclohexylthiourea
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