[(Z)-2,3,7,8,9,10-hexahydrobenzo[f]thiochromen-1-ylideneamino]urea
Formula:C14H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2,3,7,8,9,10-hexahydrobenzo[f]thiochromen-1-ylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-2,3,7,8,9,10-hexahydrobenzo[f]thiochromen-1-ylideneamino]urea |
| MolecularFormula | C14H17N3OS |
| Smiles | NC(N/N=C1\c(c(CCCC2)c2cc2)c2SCC1)=O |
| InChI | InChI=1S/C14H17N3OS/c15-14(18)17-16-11-7-8-19-12-6-5-9-3-1-2-4-10(9)13(11)12/h5-6H,1-4,7-8H2,(H3,15,17,18) |
| InChIK | DZUJGMHBGJDGGP-UHFFFAOYSA-N |
| TotalMolweight | 275.375 |
| Molweight | 275.375 |
| MonoisotopicMass | 275.109232 |
| CLogP | 1.9975 |
| CLogS | -5.162 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 207.01 |
| Relative PSA | 0.33221 |
| PolarSurfaceArea | 92.78 |
| Druglikeness | -1.8051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-2,3,7,8,9,10-hexahydrobenzo[f]thiochromen-1-ylideneamino]urea | 2 - [(Z)-2,3,7,8,9,10-hexahydrobenzo[f]thiochromen-1-ylideneamino]urea
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