11025
1
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
27
28
29
82
8
8
8
8
8
8
8
8
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
2
2
-1
3
-1
4
-1
5
-1
2
3
4
5
6
7
8
9
10
10
10
10
11
11
11
11
12
12
12
12
13
13
13
13
14
15
16
17
14
15
16
17
14
18
19
20
15
21
22
23
16
24
25
26
17
27
28
29
1
1
1
1
2
2
2
2
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
5
255
1
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
27
28
29
3.135
2.269
4.001
4.2695
4.2695
1.403
4.8671
3.4035
3.4035
0.5369
5.7331
2.5375
2.5375
1.403
4.8671
3.4035
3.4035
0.8469
0
0.2269
6.0431
6.27
5.4231
2.8475
2.0005
2.2274
2.8475
2.0005
2.2274
1
1.5
1.5
5.5369
9.5739
0
0
4.0369
8.0739
1.5
1.5
5.5369
9.5739
1
1
5.0369
9.0739
2.0369
1.81
0.9631
0.9631
1.81
2.0369
6.0739
5.8469
5
10.1108
9.8839
9.0369
-2
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
25.5
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
8
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
0
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C0703C00000000000000000040000000000000000000000000000000000000000000001A000000000000008080000208000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
plumbous;tetraacetate
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
lead(2+);tetraacetate
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
lead(2+);tetraacetate
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
lead(2+);tetraethanoate
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
plumbous;tetraacetate
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/4C2H4O2.Pb/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+2/p-4
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
ACKFDYCQCBEDNU-UHFFFAOYSA-J
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
444.029869
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C8H12O8Pb-2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
443.37608
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pb+2]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pb+2]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
161
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
444.029869
17
0
0
0
0
0
0
0
5
1