Chemical ID: 4434666

COc1ccccc1c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O
Chemical ID:
4434666
Name [?]:
2,6,7-trihydroxy-9-(2-methoxyphenyl)-xanthen-3-one
SMILES [?]:
COc1ccccc1c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O
InChi [?]:
InChI=1/C20H14O6/c1-25-17-5-3-2-4-10(17)20-11-6-13(21)15(23)8-18(11)26-19-9-16(24)14(22)7-12(19)20/h2-9,21-23H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,11,22,14,18,8,10,23,12,21,13,19,3,15,17,9,26,24,25,20,2,16/rA:26nCOCCCCCCCCCCCCCOCCCOCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;d17;s18;d19;s19;d21;d9s17s22;s21;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.39914
Area:521.931
Solvation:-6.64915
Coulombic:-70.8998
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:350.322
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.81
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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