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6.4347
5.4684
7.4516
3.732
2
7.9128
7.8195
2.866
8.9073
6.3301
7.2437
7.4128
5.4641
5.4641
9.4951
4.5981
6.3301
4.5981
7.2318
6.3301
5.4641
7.6385
6.2372
7.0507
5.6494
3.732
6.0562
2.866
8.7364
9.4646
4.9272
9.9967
9.8595
8.9935
4.0611
6.8671
6.8671
5.4641
8.2551
5.9851
7.3029
5.0328
3.9441
4.3426
2.3291
3.403
1.4735
5.831
-0.9059
-3.021
-4.021
0.8154
2.595
-5.521
0.7109
0.479
0.0722
1.6814
-0.021
-1.021
1.5199
-1.521
-1.521
-2.521
3.404
-2.521
-3.021
4.3175
3.2994
5.1265
4.1085
-4.021
5.022
-4.521
0.1149
0.4391
0.289
1.1554
2.0215
1.8843
-1.211
-1.211
-2.831
-3.641
4.3823
2.733
5.6929
4.0437
-4.6036
-3.9134
-5.831
-5.831
8
8
8
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8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
647
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
6
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
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B3100400000000000000000000000000160000000306000000000000000014000001F04100000000C0CE1D80E33C683400408A802255274028218016022100988004E6CC80E262284B99F833820E4D61188E98790C0100E00000100000000000000020000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[3-[(E)-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[3-[(E)-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-5-thiazolidinylidene]methyl]phenoxy]acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[3-[(E)-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[3-[(E)-[3-ethyl-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[3-[(E)-[3-ethyl-2-(4-fluorophenyl)imino-4-keto-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C20H18FN3O3S/c1-2-24-19(26)17(28-20(24)23-15-8-6-14(21)7-9-15)11-13-4-3-5-16(10-13)27-12-18(22)25/h3-11H,2,12H2,1H3,(H2,22,25)/b17-11+,23-20?
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
ALAMKQLKTKUNNL-DJCXZETLSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
399.105291
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C20H18FN3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
399.438623
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCN1C(=O)C(=CC2=CC(=CC=C2)OCC(=O)N)SC1=NC3=CC=C(C=C3)F
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCN1C(=O)/C(=C\C2=CC(=CC=C2)OCC(=O)N)/SC1=NC3=CC=C(C=C3)F
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
110
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
399.105291
28
0
0
0
1
1
0
0
1
3