4031878
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
9
8
7
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
2
3
3
3
4
4
5
5
5
6
6
7
7
8
8
9
11
12
12
13
13
14
14
15
15
16
17
17
18
19
16
10
8
10
20
6
9
11
28
29
7
10
11
12
9
13
14
15
16
21
17
22
18
23
19
24
19
18
25
26
27
1
2
1
1
1
2
1
1
1
1
1
1
2
1
1
2
2
1
2
1
1
1
1
1
2
1
1
2
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
2
4.5981
6.3301
6.3301
5.4641
5.4641
4.5981
7.1962
7.1962
5.4641
4.5981
3.732
8.0901
8.0901
3.732
2.866
8.9962
8.9962
2.866
6.3301
3.732
8.0829
8.0829
3.732
9.5319
9.5319
2.3291
5.4641
6.001
-0.25
-1.75
-1.75
0.25
1.75
-0.25
0.25
-1.25
-0.25
-1.25
1.25
-0.25
-1.7847
0.2847
1.75
0.25
-1.2708
-0.2292
1.25
-2.37
-0.87
-2.4046
0.9046
2.37
-1.5829
0.0829
1.56
2.37
1.44
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
3
3
4
4
6
7
7
8
8
9
11
12
13
14
15
16
17
8
10
6
9
10
11
12
9
13
14
15
16
17
18
19
19
18
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
398
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371C0732100000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980830C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
3-(2-amino-5-fluoro-phenyl)-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
3-(2-amino-5-fluorophenyl)-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
3-(2-amino-5-fluorophenyl)-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
3-(2-azanyl-5-fluoranyl-phenyl)-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
3-(2-amino-5-fluoro-phenyl)-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C14H10FN3O/c15-8-5-6-10(16)9(7-8)13-14(19)18-12-4-2-1-3-11(12)17-13/h1-7H,16H2,(H,18,19)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
DKHGUPFXXFBAOL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
1.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
255.08079
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C14H10FN3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
255.247103
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)F)N
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)F)N
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
67.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
255.08079
19
0
0
0
0
0
0
0
1
8