Chemical ID: 4994139

c1cc(c(cc1Cl)Cl)C2CC(=O)c3cc(ccc3O2)Cl
Chemical ID:
4994139
Name [?]:
6-chloro-2-(2,4-dichlorophenyl)-chroman-4-one
SMILES [?]:
c1cc(c(cc1Cl)Cl)C2CC(=O)c3cc(ccc3O2)Cl
InChi [?]:
InChI=1/C15H9Cl3O2/c16-8-2-4-14-11(5-8)13(19)7-15(20-14)10-3-1-9(17)6-12(10)18/h1-6,15H,7H2
InChi Info:
AuxInfo=1/0/N:1,16,2,17,14,5,10,15,6,3,13,4,11,18,9,20,7,8,12,19/rA:20cCCCCCCClClCCCOCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s9s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9Cl3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.1639
Area:494.788
Solvation:-2.20578
Coulombic:-18.1987
Bond Count [?]
All:22
Single:15
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:327.589
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.08
LogP (Chemaxon):4.39

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