[(E)-[(6Z)-6-(carbamothioylhydrazinylidene)-2-bicyclo[3.3.1]nonanylidene]amino]thiourea
Formula:C11H18N6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[(6Z)-6-(carbamothioylhydrazinylidene)-2-bicyclo[3.3.1]nonanylidene]amino]thiourea is a drug-like molecule.
| MolName | [(E)-[(6Z)-6-(carbamothioylhydrazinylidene)-2-bicyclo[3.3.1]nonanylidene]amino]thiourea |
| MolecularFormula | C11H18N6S2 |
| Smiles | NC(N/N=C(\CC1)/C(CC2)CC1/C2=N\NC(N)=S)=S |
| InChI | InChI=1S/C11H18N6S2/c12-10(18)16-14-8-3-1-6-5-7(8)2-4-9(6)15-17-11(13)19/h6-7H,1-5H2,(H3,12,16,18)(H3,13,17,19)/b14-8+,15-9? |
| InChIK | LOWXUGWMBCGESM-OZMOGXRNSA-N |
| TotalMolweight | 298.438 |
| Molweight | 298.438 |
| MonoisotopicMass | 298.103434 |
| CLogP | 1.1008 |
| CLogS | -4.046 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 231.62 |
| Relative PSA | 0.57197 |
| PolarSurfaceArea | 165 |
| Druglikeness | 0.74755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 9 |
| StereoCon | unknown chirality |
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1 - [(E)-[(6Z)-6-(carbamothioylhydrazinylidene)-2-bicyclo[3.3.1]nonanylidene]amino]thiourea | 2 - [(E)-[(6Z)-6-(carbamothioylhydrazinylidene)-2-bicyclo[3.3.1]nonanylidene]amino]thiourea
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