Chemical ID: 3966436

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
Chemical ID:
3966436
Name [?]:
docosa-4,7,10,13,16,19-hexaenoic acid
SMILES [?]:
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
InChi [?]:
InChI=1/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24/E:(23,24)/rA:24nCCCCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;w3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;w15;s16;s17;w18;s19;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H32O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:15.3664
Area:697.634
Solvation:-2.07444
Coulombic:-34.6279
Bond Count [?]
All:23
Single:16
Double:7
Rotors:14
Chiral:6
Rigid Segments:9
Chemical Properties
Molecular Weight:328.488
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.72
LogP (Chemaxon):6.43

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