887
1
2
3
4
5
6
8
6
1
1
1
1
1
1
2
2
2
2
6
3
4
5
1
1
1
1
1
1
3
1
2
3
4
5
6
2.5369
3.403
3.713
3.9399
3.093
2
-0.25
0.25
-0.2869
0.56
0.7869
0.06
0
Compound
Canonicalized
5
2011.04.04
1
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
32.04186
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
32.026215
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
32.026215
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
CH4O
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/CH4O/c1-2/h2H,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
OKKJLVBELUTLKV-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
-0.5
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
CO
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
CO
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
methanol
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
methanol
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
methanol
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
methanol
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
methanol
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
1
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
1
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
2
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
20.2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371800020000000000000000000000000000000000000000000000000000000000000000012000008000000000000020200000002000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000
2
0
0
0
0
0
0
0
1
1