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Chemical ID: 7339998
Chemical ID:
7339998
Name [?]:
(4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-yl)methanol
SMILES [?]:
CC[N+]12CCCCC1C(CCC2)CO
InChi [?]:
InChI=1/C12H24NO/c1-2-13-8-4-3-7-12(13)11(10-14)6-5-9-13/h11-12,14H,2-10H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,6,5,11,10,7,4,12,13,9,8,3,14/CRV:13+1/rA:14cCCN+CCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s10;s3s11;s9;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24NO+ |
All Atoms: | 38 |
Heavy Atoms: | 14 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -18.0261 |
Area: | 354.937 |
Solvation: | -26.8995 |
Coulombic: | 6.301 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.325 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.14 |
LogP (Chemaxon): | -3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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