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Chemical ID: 7620314
Chemical ID:
7620314
Name [?]:
None
SMILES [?]:
CCOCC1(CC2CC1C3C2CCC3)O
InChi [?]:
InChI=1/C13H22O2/c1-2-15-8-13(14)7-9-6-12(13)11-5-3-4-10(9)11/h9-12,14H,2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,8,6,4,7,11,10,9,5,15,3/rA:15cCCOCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s7s10;s11;s12;s10s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22O2 |
All Atoms: | 37 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.25421 |
Area: | 385.043 |
Solvation: | -2.37186 |
Coulombic: | -26.5946 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.7 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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