(8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)hydrazine
Formula:C16H20N7OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)hydrazine is a drug-like molecule.
| MolName | (8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)hydrazine |
| MolecularFormula | C16H20N7OS |
| Smiles | NNc1c2sc3[nH+]c(N4CCOCC4)c(CCCC4)c4c3c2nnn1 |
| InChI | InChI=1S/C16H19N7OS/c17-19-14-13-12(20-22-21-14)11-9-3-1-2-4-10(9)15(18-16(11)25-13)23-5-7-24-8-6-23/h1-8,17H2,(H,19,20,21)/p+1 |
| InChIK | UPRRZCAFDUNOHK-UHFFFAOYSA-O |
| TotalMolweight | 358.449 |
| Molweight | 358.449 |
| MonoisotopicMass | 358.145003 |
| CLogP | 0.2003 |
| CLogS | -4.803 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 245.83 |
| Relative PSA | 0.38055 |
| PolarSurfaceArea | 131.57 |
| Druglikeness | -7.2257 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)hydrazine | 2 - (8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)hydrazine
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