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Chemical ID: 7646381
Chemical ID:
7646381
Name [?]:
None
SMILES [?]:
CC1(CCC2C(=CC3C4C2(CCC(=O)C4(C(=O)O3)C)C)C1)C=C
InChi [?]:
InChI=1/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3
InChi Info:
AuxInfo=1/0/N:23,1,20,19,22,4,12,3,11,7,21,6,5,8,13,9,16,2,10,15,14,17,18/rA:23cCCCCCCCCCCCCCOCCOOCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s5s9;s10;s11;s12;d13;s9s13;s15;d16;s8s16;s15;s10;s2s6;s2;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26O3 |
All Atoms: | 49 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.65238 |
Area: | 466.375 |
Solvation: | -4.00699 |
Coulombic: | -27.3925 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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