11954059
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6.3301
7.1962
9.7942
10.6603
12.3923
5.4641
6.3301
4.5981
3.732
7.1962
2.866
8.0622
2
8.9282
9.7942
10.6603
11.5263
12.3923
12.3923
12.3923
12.3923
13.2583
13.2583
11.5263
11.5263
5.0656
5.8626
7.0662
4.9966
4.1996
3.3335
4.1306
6.46
3.2646
2.4675
8.0622
5.7932
8.9282
1.69
1.4631
2.31
9.0581
6.6592
10.2617
11.0588
11.5263
12.1803
11.7817
12.6044
13.0029
12.9292
10.3312
11.7817
12.1803
13.7953
11.3142
10.9157
13.7953
10.6603
3.905
1.405
3.905
-3.595
-3.595
2.405
2.905
2.905
2.405
2.405
2.905
2.905
2.405
2.405
2.905
2.405
2.905
-0.595
2.405
-1.595
1.405
-0.095
0.905
-2.095
-3.095
1.93
1.93
3.33
3.38
3.38
1.93
1.93
1.98
3.38
3.38
3.525
4.215
1.785
2.9419
2.095
1.8681
3.33
1.095
1.93
1.93
3.525
-0.0124
-0.7027
-2.1776
-1.4873
2.715
4.215
1.5127
0.8224
-0.405
-1.5124
-2.2027
1.215
-4.215
3
3
3
7
10
15
28
33
42
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
414
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
15
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F0783800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020000008080100000801141200010000500004C00009100388C0A00000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z,12E)-11,14,15-trihydroxyeicosa-5,8,12-trienoic acid
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z,12E)-11,14,15-tris(oxidanyl)icosa-5,8,12-trienoic acid
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,8Z,12E)-11,14,15-trihydroxyeicosa-5,8,12-trienoic acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
YCFPVUKKIWMCJK-LTCHCNGXSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.240624
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H34O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.48096
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCC(C(C=CC(CC=CCC=CCCCC(=O)O)O)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCC(C(/C=C/C(C/C=C\C/C=C\CCCC(=O)O)O)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
98
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.240624
25
3
0
3
3
3
0
0
1
1