Chemical ID: 6847198

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCc4ccc(c(c4)Cl)Cl)C
Chemical ID:
6847198
Name [?]:
3-[(3,4-dichlorophenyl)methoxy]-2-(2-furyl)-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCc4ccc(c(c4)Cl)Cl)C
InChi [?]:
InChI=1/C22H16Cl2O4/c1-12-8-13(2)20-15(9-12)19(25)22(21(28-20)18-4-3-7-26-18)27-11-14-5-6-16(23)17(24)10-14/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,15,14,21,22,16,3,7,25,19,2,4,20,6,23,24,13,8,5,11,10,27,26,9,17,18,12/rA:28nCCCCCCCCOCCOCCCCOOCCCCCCCClClC/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;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16Cl2O4
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1491
Area:597.787
Solvation:-3.79556
Coulombic:-35.0811
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:415.265
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.19
LogP (Chemaxon):6.06

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Descriptor Annotations

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