[(E)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethylideneamino]thiourea
Formula:C19H21N3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(E)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethylideneamino]thiourea |
| MolecularFormula | C19H21N3S |
| Smiles | C/C(/c1c(CCc2ccc(CC3)cc2)ccc3c1)=N\NC(N)=S |
| InChI | InChI=1S/C19H21N3S/c1-13(21-22-19(20)23)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3,(H3,20,22,23) |
| InChIK | AXVLYZMOUHMARO-UHFFFAOYSA-N |
| TotalMolweight | 323.463 |
| Molweight | 323.463 |
| MonoisotopicMass | 323.145617 |
| CLogP | 4.2131 |
| CLogS | -5.448 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 262.48 |
| Relative PSA | 0.25236 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 0.15358 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethylideneamino]thiourea | 2 - [(E)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethylideneamino]thiourea
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