6354
1
2
3
4
5
6
7
8
6
6
1
1
1
1
1
1
2
2
2
3
3
2
3
3
4
5
6
7
1
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
2.5
2
3
1.4174
1.8923
3.1077
3.5826
0.433
-0.433
-0.433
-0.221
-1.0436
-1.0436
-0.221
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
10.3
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
0
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
0000037180402000000000000000000000001200000000000000000000000000000000000000001A00000000000000A080020000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
oxirane
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
oxirane
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
oxirane
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
oxirane
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethylene oxide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C2H4O/c1-2-3-1/h1-2H2
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
IAYPIBMASNFSPL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
-0.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
44.026215
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C2H4O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
44.05256
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1CO1
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1CO1
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
12.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
44.026215
3
0
0
0
0
0
0
0
1
1