Chemical ID: 5231779

COc1cc2c(cc1OC)-c3ccccc3C(=O)OC2
Chemical ID:
5231779
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)-c3ccccc3C(=O)OC2
InChi [?]:
InChI=1/C16H14O4/c1-18-14-7-10-9-20-16(17)12-6-4-3-5-11(12)13(10)8-15(14)19-2/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,12,15,4,7,20,5,11,16,6,3,8,17,18,2,9,19/rA:20nCOCCCCCCOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s16;d17;s17;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.1379
Area:438.594
Solvation:-5.82695
Coulombic:-33.9256
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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