69677413
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29
30
11
11
8
8
7
7
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
1
3
-1
4
-1
3
4
5
5
5
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11
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17
7
27
28
8
29
30
10
12
9
11
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20
13
19
16
22
15
21
17
23
18
24
17
25
18
26
1
1
1
1
1
1
1
1
2
1
2
1
1
1
1
1
2
1
2
1
2
1
2
1
1
1
1
1
1
5
255
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4
5
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5.3429
0.5369
6.2089
1.403
1.403
6.2089
1.403
6.2089
5.3429
0.5369
7.0749
2.269
0.5369
5.3429
2.269
7.0749
1.403
6.2089
0
4.8059
2.8059
7.6118
0
4.8059
2.8059
7.6118
1.9399
0.866
6.7458
5.672
0
0
0.5
0.5
4.5
4.5
3.5
3.5
3
3
3
3
2
2
2
2
1.5
1.5
3.31
3.31
3.31
3.31
1.69
1.69
1.69
1.69
4.81
4.81
4.81
4.81
8
8
8
8
8
8
8
8
8
8
8
8
7
7
8
8
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
66.9
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
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
00000371C0733030000000000000000000000000000000000000306000000000000000014000001E0010000000080C81900030C680400000800024424000820000202200088800066C8808262280919380300064D01108C807B040000000400000000000000080000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
disodium;4-aminophenolate
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
disodium;4-aminophenolate
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
disodium;4-aminophenolate
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
disodium;4-azanylphenolate
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
disodium;4-aminophenolate
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/2C6H7NO.2Na/c2*7-5-1-3-6(8)4-2-5;;/h2*1-4,8H,7H2;;/q;;2*+1/p-2
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
LPDYFCUZTIGTHZ-UHFFFAOYSA-L
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
262.069416
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C12H12N2Na2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
262.215419
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC(=CC=C1N)[O-].C1=CC(=CC=C1N)[O-].[Na+].[Na+]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC(=CC=C1N)[O-].C1=CC(=CC=C1N)[O-].[Na+].[Na+]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
98.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
262.069416
18
0
0
0
0
0
0
0
4
1