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255
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3.6636
13.3092
10.7054
5.2158
2
3.4945
5.4432
4.5772
6.3092
8.0413
7.1753
8.0413
6.3092
4.4727
7.1753
8.9352
8.9352
9.8413
9.8413
2.9945
11.5733
12.4374
13.3054
12.4336
14.1695
13.2977
14.1656
5.0447
5.8418
4.5447
7.1753
5.7723
7.1753
8.9281
8.9281
3.2424
10.377
11.1767
11.9737
11.8955
14.7076
13.2953
14.7014
-1.6565
-1.2156
0.2744
0.4139
-1.0179
-0.0473
-1.7498
-1.2498
-1.2498
-1.2498
-1.7498
-0.2497
-0.2497
-0.2552
0.2503
0.2849
-1.7844
-0.2289
-1.2706
-0.9133
-0.2223
0.2811
-0.2156
1.2811
0.2878
1.7844
1.2878
-2.2247
-2.2247
-1.8689
-2.3697
0.0603
0.8703
0.9049
-2.4044
0.5191
-1.5826
-0.6987
-0.6957
1.589
-0.0202
2.4044
1.5998
3
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
9
9
10
10
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12
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13
16
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22
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24
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26
7
11
13
11
12
17
15
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27
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
560
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07A31004000000000000000000000000001600000003060C0000000000000C15400001F04100000000C04A5D80AB006C2C004088802215210000208006020100888010608880C2632A4B11A863820A4D43108A80798C8F08EE000030000100000C000060000200000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[[6-[(2-fluorophenyl)methoxy]-2-naphthyl]methyl]thiazolidine-2,4-dione
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[[6-[(2-fluorophenyl)methoxy]-2-naphthalenyl]methyl]thiazolidine-2,4-dione
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[[6-(2-fluorobenzyl)oxy-2-naphthyl]methyl]thiazolidine-2,4-quinone
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
PKWDZWYVIHVNKS-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
4.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
381.083493
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C21H16FNO3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
381.420043
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C=C(C=C3)CC4C(=O)NC(=O)S4)F
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C=C(C=C3)CC4C(=O)NC(=O)S4)F
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
80.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
381.083493
27
1
0
1
0
0
0
0
1
5