[(Z)-[4-(1-adamantyl)phenyl]methylideneamino]thiourea
Formula:C18H23N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(1-adamantyl)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[4-(1-adamantyl)phenyl]methylideneamino]thiourea |
| MolecularFormula | C18H23N3S |
| Smiles | NC(N/N=C\c1ccc(C2(CC(C3)C4)CC4CC3C2)cc1)=S |
| InChI | InChI=1S/C18H23N3S/c19-17(22)21-20-11-12-1-3-16(4-2-12)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H3,19,21,22) |
| InChIK | WNIHCDKRHQZZIR-UHFFFAOYSA-N |
| TotalMolweight | 313.468 |
| Molweight | 313.468 |
| MonoisotopicMass | 313.161267 |
| CLogP | 3.6623 |
| CLogS | -5.606 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 240.68 |
| Relative PSA | 0.27522 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 2.5096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| StereoCon |
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