28179
1
9
1
-1
1
5
255
1
2
0
-1
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
0
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
00000371000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
fluoride
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
fluoride
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
fluoride
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
fluoride
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
fluoride
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/FH/h1H/p-1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
KRHYYFGTRYWZRS-UHFFFAOYSA-M
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
0.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
18.998403
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
F-
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
18.998403
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
[F-]
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
[F-]
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
0
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
18.998403
1
0
0
0
0
0
0
0
1
1