11197
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5
255
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2.5369
3.403
13.7953
12.9292
14.6613
12.0632
15.5273
11.1972
16.3933
10.3312
17.2594
9.4651
18.1254
8.5991
18.9914
7.7331
19.8574
6.8671
20.7235
6.001
21.5895
5.135
22.4555
4.269
23.3215
3.403
13.3967
14.1938
13.3278
12.5307
15.0598
14.2628
11.6647
12.4617
15.1288
15.9258
11.5957
10.7987
16.7919
15.9948
9.9326
10.7297
16.8608
17.6579
9.8637
9.0666
18.5239
17.7269
8.2006
8.9976
18.5929
19.3899
8.1316
7.3346
20.256
19.4589
6.4685
7.2656
20.3249
21.122
6.3996
5.6025
21.988
21.191
4.7365
5.5335
22.057
22.854
4.6675
3.8705
23.6315
23.8585
23.0115
2
0.75
-0.75
0.25
0.75
0.75
0.25
0.25
0.75
0.75
0.25
0.25
0.75
0.75
0.25
0.25
0.75
0.75
0.25
0.25
0.75
0.75
0.25
0.25
0.75
0.75
0.25
-0.2249
-0.2249
1.225
1.225
1.225
1.225
-0.2249
-0.2249
-0.2249
-0.2249
1.225
1.225
1.225
1.225
-0.2249
-0.2249
-0.2249
-0.2249
1.225
1.225
1.225
1.225
-0.2249
-0.2249
-0.2249
-0.2249
1.225
1.225
1.225
1.225
-0.2249
-0.2249
-0.2249
-0.2249
1.225
1.225
1.225
1.225
-0.2249
-0.2249
-0.2249
-0.2249
1.225
1.225
0.2131
1.06
1.2869
0.44
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
275
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
22
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F0783000000000000000000000000000000000000000000000000000000000000000001A0000080000080080800002080000020008000090080000000000000000000100000000001200000000400004000000000188C8A08000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
tetracosanoic acid
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
tetracosanoic acid
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
tetracosanoic acid
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
tetracosanoic acid
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
lignoceric acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
QZZGJDVWLFXDLK-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
10.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
368.365431
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H48O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
368.63672
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
37.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
368.365431
26
0
0
0
0
0
0
0
1
1