Chemical ID: 3964648

CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O
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

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Descriptor Annotations

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