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Chemical ID: 7614338
Chemical ID:
7614338
Name [?]:
None
SMILES [?]:
CCOC(=O)C1CC2CC1C3C2CCC3
InChi [?]:
InChI=1/C13H20O2/c1-2-15-13(14)12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,9,7,8,12,11,10,6,4,5,3/rA:15cCCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;s10;s8s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20O2 |
All Atoms: | 35 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.21933 |
Area: | 381.939 |
Solvation: | -1.32914 |
Coulombic: | -19.8126 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.93 |
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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