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Chemical ID: 4562513
Chemical ID:
4562513
Name [?]:
2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-ylmethanethiol
SMILES [?]:
C1CCN2CCCC(C2C1)CS
InChi [?]:
InChI=1/C10H19NS/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,7,10,3,5,11,8,9,4,12/rA:12cCCCNCCCCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s1s9;s8;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NS |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.52295 |
Area: | 341.068 |
Solvation: | -1.00375 |
Coulombic: | -8.12972 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 185.331 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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