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Chemical ID: 5694459
Chemical ID:
5694459
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CCC(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C24H20O5/c1-27-19-10-6-16(7-11-19)8-13-22(25)28-15-18-14-23(26)29-21-12-9-17-4-2-3-5-20(17)24(18)21/h2-7,9-12,14H,8,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,23,5,7,9,28,4,8,29,10,16,14,6,27,15,3,22,20,11,17,21,12,18,2,13,19/E:(6,7)(10,11)/rA:29nCOCCCCCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;s17;s19;s15s20;d21;s22;d23;s24;d25;s22s26;d27;d20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8869 |
Area: | 621.078 |
Solvation: | -4.64007 |
Coulombic: | -46.0678 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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