25200097
1
2
3
4
5
6
23
23
23
23
23
23
1
5
255
1
2
3
4
5
6
0
0
2.5
2.5
2.5
5
1.25
3.75
0
2.5
5
2.5
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
0
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
0
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
0
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
0
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
vanadium
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
vanadium
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
vanadium
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
vanadium
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
vanadium
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/6V
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
SWRARNXWHCJXLB-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
305.663757
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
V6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
305.649
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
[V].[V].[V].[V].[V].[V]
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
[V].[V].[V].[V].[V].[V]
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
0
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
305.663757
6
0
0
0
0
0
0
0
6
1