Chemical ID: 4570675

COc1ccc(cc1OC)c2coc3cc(ccc3c2=O)O
Chemical ID:
4570675
Name [?]:
3-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one
SMILES [?]:
COc1ccc(cc1OC)c2coc3cc(ccc3c2=O)O
InChi [?]:
InChI=1/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,17,18,4,7,15,12,6,16,19,11,3,14,8,20,22,21,2,9,13/rA:22nCOCCCCCCOCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.56631
Area:482.706
Solvation:-6.50135
Coulombic:-45.4473
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.29
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):3.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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