[(E)-[phenyl(3-tricyclo[2.2.1.02,6]heptanyl)methylidene]amino]thiourea
Formula:C15H17N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[phenyl(3-tricyclo[2.2.1.02,6]heptanyl)methylidene]amino]thiourea is a drug-like molecule.
| MolName | [(E)-[phenyl(3-tricyclo[2.2.1.02,6]heptanyl)methylidene]amino]thiourea |
| MolecularFormula | C15H17N3S |
| Smiles | NC(N/N=C(\C1C2CC3C1C3C2)/c1ccccc1)=S |
| InChI | InChI=1S/C15H17N3S/c16-15(19)18-17-14(8-4-2-1-3-5-8)12-9-6-10-11(7-9)13(10)12/h1-5,9-13H,6-7H2,(H3,16,18,19) |
| InChIK | GHRWKAIRQCQQHH-UHFFFAOYSA-N |
| TotalMolweight | 271.387 |
| Molweight | 271.387 |
| MonoisotopicMass | 271.114317 |
| CLogP | 2.2788 |
| CLogS | -4.586 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 198.44 |
| Relative PSA | 0.3338 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 1.7976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 8 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - [(E)-[phenyl(3-tricyclo[2.2.1.02,6]heptanyl)methylidene]amino]thiourea | 2 - [(E)-[phenyl(3-tricyclo[2.2.1.02,6]heptanyl)methylidene]amino]thiourea
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