4149264
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5.5443
8.1279
9.9939
8.9939
8.1279
7.6882
11.36
10.86
9.9939
8.9939
11.36
10.86
6.8619
7.1279
5.5443
8.6279
9.4939
8.6279
10.36
9.4939
10.36
7.6279
6.1279
4.5981
4.5981
3.732
3.732
2.866
2.866
2
7.4379
3.732
3.732
2.3291
2.31
1.4631
1.69
1.9208
1.116
1.616
1.616
-1.616
-1.0919
0.25
1.116
-2.116
-2.116
-0.75
-1.616
-0.3928
1.116
0.3113
0.25
0.75
-0.75
0.25
-1.25
-0.75
0.25
1.116
1.616
0.616
2.116
0.116
1.616
0.616
2.116
1.653
2.736
-0.504
0.306
2.653
2.426
1.5791
8
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
701
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
14
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371807321C040000000000000000000000000016000000030600000000000005801F000001F04100000000C0881DE1033D1B2C81008AC032572740083F0A9610A3949983D3064988820B2E0999184200868810248C8271888008E08000080000001001000010000000200000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(6-methyl-1,3-benzothiazol-2-yl)-1-cyclohexanecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
1,2,2,3,3,4,4,5,5,6,6-undecakis(fluoranyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C15H7F11N2OS/c1-5-2-3-6-7(4-5)30-9(27-6)28-8(29)10(16)11(17,18)13(21,22)15(25,26)14(23,24)12(10,19)20/h2-4H,1H3,(H,27,28,29)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
NVABZNPAVVFHQQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
5.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
472.010344
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C15H7F11N2OS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
472.276315
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3(C(C(C(C(C3(F)F)(F)F)(F)F)(F)F)(F)F)F
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3(C(C(C(C(C3(F)F)(F)F)(F)F)(F)F)(F)F)F
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
70.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
472.010344
30
0
0
0
0
0
0
0
1
3