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Chemical ID: 3964648
Chemical ID:
3964648
Name [?]:
12-hydroxyicosa-5,8,10,14-tetraenoic acid
SMILES [?]:
CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O
InChi [?]:
InChI=1/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,14,15,13,16,6,12,17,7,11,18,8,10,19,9,20,23,21,22/E:(22,23)/rA:23cCCCCCCCCCCCCCCCCCCCCOOO/rB:s1;s2;s3;s4;s5;w6;s7;s8;s9;w10;s11;w12;s13;s14;w15;s16;s17;s18;s19;d20;s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3336 |
Area: | 662.464 |
Solvation: | -3.22801 |
Coulombic: | -48.5756 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 14 |
Chiral: | 4 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 320.466 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.96 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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