Chemical ID: 7088677

c1cc(c(cc1C(=O)CCCC(=O)O)Cl)Cl
Chemical ID:
7088677
Name [?]:
5-(3,4-dichlorophenyl)-5-oxo-pentanoic acid
SMILES [?]:
c1cc(c(cc1C(=O)CCCC(=O)O)Cl)Cl
InChi [?]:
InChI=1/C11H10Cl2O3/c12-8-5-4-7(6-9(8)13)10(14)2-1-3-11(15)16/h4-6H,1-3H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:10,9,11,1,2,5,6,3,4,7,12,16,15,8,13,14/E:(15,16)/rA:16nCCCCCCCOCCCCOOClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;d12;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10Cl2O3
All Atoms:26
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.78932
Area:450.059
Solvation:-3.46215
Coulombic:-33.7904
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.101
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.83
LogP (Chemaxon):2.58

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