Chemical ID: 7088360

c1cc(cc(c1)Cl)C(=O)CCCC(=O)O
Chemical ID:
7088360
Name [?]:
5-(3-chlorophenyl)-5-oxo-pentanoic acid
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C11H11ClO3/c12-9-4-1-3-8(7-9)10(13)5-2-6-11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,4,3,5,8,13,7,9,14,15/E:(14,15)/rA:15nCCCCCCClCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11ClO3
All Atoms:26
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.25273
Area:421.782
Solvation:-3.29182
Coulombic:-33.9382
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.656
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.21
LogP (Chemaxon):2.06

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Descriptor Annotations

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