Chemical ID: 6847196

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCc4cccc(c4)Cl)C
Chemical ID:
6847196
Name [?]:
3-[(3-chlorophenyl)methoxy]-2-(2-furyl)-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCc4cccc(c4)Cl)C
InChi [?]:
InChI=1/C22H17ClO4/c1-13-9-14(2)20-17(10-13)19(24)22(21(27-20)18-7-4-8-25-18)26-12-15-5-3-6-16(23)11-15/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,22,15,21,23,14,16,3,7,25,19,2,4,20,24,6,13,8,5,11,10,26,9,17,18,12/rA:27nCCCCCCCCOCCOCCCCOOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;s20;d21;s22;d23;d20s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClO4
All Atoms:44
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4356
Area:570.659
Solvation:-3.83088
Coulombic:-34.9101
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.821
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.57
LogP (Chemaxon):5.54

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Descriptor Annotations

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