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Chemical ID: 5711347
Chemical ID:
5711347
Name [?]:
None
SMILES [?]:
COc1cccc(c1)C(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C22H16O5/c1-25-17-7-4-6-15(11-17)22(24)26-13-16-12-20(23)27-19-10-9-14-5-2-3-8-18(14)21(16)19/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,5,24,6,4,21,26,27,8,14,12,25,7,13,3,20,18,15,19,9,16,10,2,11,17/rA:27nCOCCCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;s15;s17;s13s18;d19;s20;d21;s22;d23;s20s24;d25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85392 |
Area: | 562.135 |
Solvation: | -4.19945 |
Coulombic: | -47.7014 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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