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Chemical ID: 4561338
Chemical ID:
4561338
Name [?]:
None
SMILES [?]:
CCCCCCc1c(c2cc3c(c(oc3c(c2oc1=O)C)C)c4ccccc4)C
InChi [?]:
InChI=1/C26H28O3/c1-5-6-7-11-14-20-16(2)21-15-22-23(19-12-9-8-10-13-19)18(4)28-25(22)17(3)24(21)29-26(20)27/h8-10,12-13,15H,5-7,11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,21,22,2,3,4,26,25,27,5,24,28,6,10,8,16,13,23,7,9,11,12,17,15,19,20,14,18/E:(9,10)(12,13)/rA:29nCCCCCCCCCCCCCOCCCOCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s11s14;d15;d9s16;s17;s7s18;d19;s16;s13;s12;s23;d24;s25;d26;d23s27;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2647 |
Area: | 636.635 |
Solvation: | -2.65114 |
Coulombic: | -29.4179 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.499 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.38 |
LogP (Chemaxon): | 7.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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