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Chemical ID: 7686282
Chemical ID:
7686282
Name [?]:
None
SMILES [?]:
Cc1c(cc(c(c1O)C(=O)C)OCc2ccccc2)OCc3ccccc3
InChi [?]:
InChI=1/C23H22O4/c1-16-20(26-14-18-9-5-3-6-10-18)13-21(22(17(2)24)23(16)25)27-15-19-11-7-4-8-12-19/h3-13,25H,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,25,17,24,26,16,18,23,27,15,19,4,21,13,2,9,22,14,3,5,6,7,10,8,20,12/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCOCOCOCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s5;s12;s13;s14;d15;s16;d17;d14s18;s3;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22O4 |
All Atoms: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.53904 |
Area: | 603.716 |
Solvation: | -5.55386 |
Coulombic: | -40.5152 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.36 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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