Chemical ID: 4449338

CCc1ccccc1OCC(=O)Oc2cc(ccc2Cl)Cl
Chemical ID:
4449338
Name [?]:
(2,5-dichlorophenyl) 2-(2-ethylphenoxy)acetate
SMILES [?]:
CCc1ccccc1OCC(=O)Oc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2O3/c1-2-11-5-3-4-6-14(11)20-10-16(19)21-15-9-12(17)7-8-13(15)18/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,7,17,18,15,10,3,16,19,8,14,11,21,20,12,9,13/rA:21nCCCCCCCCOCCOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1853
Area:523.762
Solvation:-2.90871
Coulombic:-29.52
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.186
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.87
LogP (Chemaxon):4.95

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Descriptor Annotations

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