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Chemical ID: 7088677
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
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Experimental Annotations
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Descriptor Annotations
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