Chemical ID: 5231782

COc1cc-2c(cc1OC)C(=O)OCc3c2cccc3
Chemical ID:
5231782
Name [?]:
None
SMILES [?]:
COc1cc-2c(cc1OC)C(=O)OCc3c2cccc3
InChi [?]:
InChI=1/C16H14O4/c1-18-14-7-12-11-6-4-3-5-10(11)9-20-16(17)13(12)8-15(14)19-2/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,19,18,20,17,4,7,14,15,16,5,6,3,8,11,12,2,9,13/rA:20nCOCCCCCCOCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s5s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.25859
Area:437.86
Solvation:-5.68792
Coulombic:-33.6427
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.28
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.15
LogP (Chemaxon):2.5

Name Annotations

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Descriptor Annotations

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