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Chemical ID: 3966436
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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