Chemical ID: 6045946

c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O
Chemical ID:
6045946
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O
InChi [?]:
InChI=1/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,21,12,20,15,23,14,22,5,4,11,19,16,18,7,10,25,24,8,17,9/E:(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(21,22)/rA:25cCCCCCCCOOCCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s20;d21;d18s22;s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.6062
Area:489.884
Solvation:-4.64091
Coulombic:-60.7787
Bond Count [?]
All:29
Single:19
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:332.306
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.41
LogP (Chemaxon):3.78

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Descriptor Annotations

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