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Chemical ID: 5147706
Chemical ID:
5147706
Name [?]:
4-methyl-4-propyl-1-oxa-4-azoniacyclohexane
SMILES [?]:
CCC[N+]1(CCOCC1)C
InChi [?]:
InChI=1/C8H18NO/c1-3-4-9(2)5-7-10-8-6-9/h3-8H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,10,2,3,5,9,6,8,4,7/E:(5,6)(7,8)/CRV:9+1/rA:10nCCCN+CCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s4;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H18NO+ |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.2713 |
Area: | 302.243 |
Solvation: | -29.8274 |
Coulombic: | 18.0106 |
Bond Count [?]
All: | 10 |
Single: | 10 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 144.235 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -0.83 |
LogP (Chemaxon): | -3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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