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Chemical ID: 5055446
Chemical ID:
5055446
Name [?]:
8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILES [?]:
CC[N+]1(C2CCC1CC(C2)O)C
InChi [?]:
InChI=1/C10H20NO/c1-3-11(2)8-4-5-9(11)7-10(12)6-8/h8-10,12H,3-7H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,2,5,6,10,8,4,7,9,3,11/E:(4,5)(6,7)(8,9)/CRV:11+1/rA:12cCCN+CCCCCCCOC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s4s9;s9;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20NO+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -19.8997 |
Area: | 316.918 |
Solvation: | -27.8227 |
Coulombic: | 8.09548 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.37 |
LogP (Chemaxon): | -4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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