1-[(Z)-benzylideneamino]-3-cyclohexylthiourea
Formula:C14H19N3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-benzylideneamino]-3-cyclohexylthiourea is a drug-like molecule.
| MolName | 1-[(Z)-benzylideneamino]-3-cyclohexylthiourea |
| MolecularFormula | C14H19N3S |
| Smiles | S=C(NC1CCCCC1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C14H19N3S/c18-14(16-13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,16,17,18) |
| InChIK | XYAIUNZYIZMNNI-UHFFFAOYSA-N |
| TotalMolweight | 261.392 |
| Molweight | 261.392 |
| MonoisotopicMass | 261.129967 |
| CLogP | 3.4392 |
| CLogS | -4.388 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 221.45 |
| Relative PSA | 0.28191 |
| 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 | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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