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Chemical ID: 7574089
Chemical ID:
7574089
Name [?]:
None
SMILES [?]:
CCCCCc1cc(c2c(c1)OC(C3C2CC(=CC3)CO)(C)C)O
InChi [?]:
InChI=1/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,2,3,4,5,18,19,16,7,11,20,6,17,15,14,8,10,9,13,21,24,12/E:(2,3)/rA:24cCCCCCCCCCCCOCCCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s9s14;s15;s16;d17;s14s18;s17;s20;s13;s13;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30O3 |
All Atoms: | 54 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.185 |
Area: | 544.832 |
Solvation: | -3.43583 |
Coulombic: | -42.9968 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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