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Chemical ID: 4569162
Chemical ID:
4569162
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2coc3c2cc4c(c3)oc(=O)c5c4CCCCC5
InChi [?]:
InChI=1/C22H18O3/c23-22-16-10-6-2-5-9-15(16)17-11-18-19(14-7-3-1-4-8-14)13-24-20(18)12-21(17)25-22/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,23,2,6,22,24,3,5,21,25,12,15,8,4,20,19,13,11,7,10,14,17,18,9,16/E:(3,4)(7,8)/rA:25nCCCCCCCCOCCCCCCOCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s13d19;s20;s21;s22;s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99395 |
Area: | 511.57 |
Solvation: | -2.79531 |
Coulombic: | -28.3415 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 330.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.33 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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