Chemical ID: 5711347

COc1cccc(c1)C(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
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

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Descriptor Annotations

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