6324
1
2
3
4
5
6
7
8
6
6
1
1
1
1
1
1
1
1
1
1
2
2
2
2
3
4
5
6
7
8
1
1
1
1
1
1
1
1
3
1
2
3
4
5
6
7
8
2
3
2
1.38
2
3
3.62
3
0
0
0.62
0
-0.62
-0.62
0
0.62
0
Compound
Canonicalized
5
2011.04.04
1
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
30.06904
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
30.04695
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
30.04695
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C2H6
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C2H6/c1-2/h1-2H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
OTMSDBZUPAUEDD-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
1.3
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
CC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
CC
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
ethane
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
ethane
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
ethane
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
ethane
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
ethane
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
0
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
0
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
0
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
0
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371804000000000000000000000000000000000000000000000000000000000000000000018000000000000008000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000
2
0
0
0
0
0
0
0
1
1