Chemical ID: 6851745

CCOc1c(=O)c2ccccc2oc1c3ccc(cc3)Cl
Chemical ID:
6851745
Name [?]:
2-(4-chlorophenyl)-3-ethoxy-chromen-4-one
SMILES [?]:
CCOc1c(=O)c2ccccc2oc1c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H13ClO3/c1-2-20-17-15(19)13-5-3-4-6-14(13)21-16(17)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,16,20,17,19,15,18,7,12,5,14,4,21,6,3,13/E:(7,8)(9,10)/rA:21nCCOCCOCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClO3
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.40179
Area:479.507
Solvation:-2.58588
Coulombic:-28.3957
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:300.736
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.92
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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