Chemical ID: 6874765

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCc4ccc(cc4)Cl
Chemical ID:
6874765
Name [?]:
2-(2-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCc4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H16Cl2O3/c1-14-6-11-20-18(12-14)21(26)23(27-13-15-7-9-16(24)10-8-15)22(28-20)17-4-2-3-5-19(17)25/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,3,23,27,24,26,4,7,21,2,22,25,13,6,18,5,8,11,10,28,19,9,20,12/E:(7,8)(9,10)/rA:28nCCCCCCCCOCCOCCCCCCClOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16Cl2O3
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9736
Area:595.405
Solvation:-2.9115
Coulombic:-30.0818
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:411.277
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.26
LogP (Chemaxon):6.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue