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Chemical ID: 4569743
Chemical ID:
4569743
Name [?]:
None
SMILES [?]:
Cc1cc2c(c(cc(=O)o2)C)c3c1c(co3)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C23H16O3/c1-13-9-19-22(14(2)10-20(24)26-19)23-21(13)18(12-25-23)17-8-7-15-5-3-4-6-16(15)11-17/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,22,23,21,24,19,18,3,7,26,15,2,6,20,25,17,14,4,8,13,5,12,9,16,10/rA:26nCCCCCCCCOOCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s4s8;s6;d5;d2s12;s13;d14;s12s15;s14;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0863 |
Area: | 517.041 |
Solvation: | -2.83977 |
Coulombic: | -28.3589 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 340.371 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.73 |
LogP (Chemaxon): | 6.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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