Chemical ID: 6914127

c1c(cc(c(c1O)O)O)C2C(C(=O)c3c(cc(cc3O2)O)O)O
Chemical ID:
6914127
Name [?]:
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-chroman-4-one
SMILES [?]:
c1c(cc(c(c1O)O)O)C2C(C(=O)c3c(cc(cc3O2)O)O)O
InChi [?]:
InChI=1/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H
InChi Info:
AuxInfo=1/0/N:1,3,16,18,2,17,15,6,4,19,14,5,12,11,10,21,22,7,9,8,13,23,20/E:(1,2)(8,9)(18,19)/rA:23cCCCCCCOOOCCCOCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s17;s15;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12O8
All Atoms:35
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:3.42981
Area:480.695
Solvation:-8.58757
Coulombic:-110.662
Bond Count [?]
All:25
Single:18
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:320.251
H-Bond Donors:6
H-Bond Acceptors:8
XLogP:-1.05
LogP (Chemaxon):1.64

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Descriptor Annotations

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