5360545
1
11
1
2
1
5
255
1
2
0
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
0
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
sodium
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
sodium
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
sodium
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
sodium
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
sodium
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/Na
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
KEAYESYHFKHZAL-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
22.989769
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
Na
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
22.989769
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
[Na]
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
[Na]
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
0
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
22.989769
1
0
0
0
0
0
0
0
1
1