[(E)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylideneamino]thiourea
Formula:C12H15N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylideneamino]thiourea |
| MolecularFormula | C12H15N3S |
| Smiles | NC(N/N=C(/C1C2C3)\C4C3C3C2C1C4C3)=S |
| InChI | InChI=1S/C12H15N3S/c13-12(16)15-14-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2,(H3,13,15,16) |
| InChIK | IBIPIUQQTDLIHO-UHFFFAOYSA-N |
| TotalMolweight | 233.338 |
| Molweight | 233.338 |
| MonoisotopicMass | 233.098667 |
| CLogP | 1.2383 |
| CLogS | -3.574 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 149.18 |
| Relative PSA | 0.44403 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 1.7976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 8 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 14 |
| Sp3Atoms | 11 |
| StereoCon | unknown chirality |
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1 - [(E)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylideneamino]thiourea | 2 - [(E)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylideneamino]thiourea
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