Chemical ID: 5789589

CCOc1ccc2c(c(c(=O)oc2c1)c3ccc(cc3Cl)Cl)C
Chemical ID:
5789589
Name [?]:
3-(2,4-dichlorophenyl)-7-ethoxy-4-methyl-chromen-2-one
SMILES [?]:
CCOc1ccc2c(c(c(=O)oc2c1)c3ccc(cc3Cl)Cl)C
InChi [?]:
InChI=1/C18H14Cl2O3/c1-3-22-12-5-7-13-10(2)17(18(21)23-16(13)9-12)14-6-4-11(19)8-15(14)20/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,17,5,16,6,19,14,8,18,4,7,15,20,13,9,10,22,21,11,3,12/rA:23nCCOCCCCCCCOOCCCCCCCCClClC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;s15;d16;s17;d18;d15s19;s20;s18;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.93079
Area:529.827
Solvation:-3.31489
Coulombic:-28.1452
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:349.207
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.57
LogP (Chemaxon):5.39

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Descriptor Annotations

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