53474663
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
8
8
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
2
3
3
3
4
5
5
5
6
7
8
8
9
9
10
12
12
13
13
14
14
15
16
16
16
17
17
17
10
16
11
17
4
6
13
7
6
7
8
12
9
10
18
11
19
11
14
20
15
21
15
22
23
24
25
26
27
28
29
1
1
1
1
1
1
1
2
2
1
1
1
1
2
1
2
1
1
2
1
2
1
1
1
1
1
1
1
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
7.3991
8.0321
3.7183
4.5274
5.0274
4.0274
5.3364
5.7123
6.3518
6.7328
7.0547
3.3424
2.7029
2.3219
2
7.0864
8.3374
5.5139
6.5365
3.5408
2.5182
1.9088
1.394
6.4975
6.8926
7.6753
8.9278
8.5267
7.747
-0.9752
0.9728
1.2976
1.8854
0.3465
0.3465
1.2976
-0.4382
1.5298
-0.2295
0.7612
-0.4382
1.5298
-0.2295
0.7612
-1.9251
1.9251
-1.0256
2.1217
-1.0256
2.1217
-0.6918
0.8924
-1.7312
-2.514
-2.1189
1.7358
2.5155
2.1144
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
3
3
3
4
5
5
5
6
7
8
9
10
12
13
14
4
6
13
7
6
7
8
12
9
10
11
11
14
15
15
0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
274
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.12.21
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.12.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.12.21
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371C07330000000000000000000000000000001600000003C400000000000005801FC00001E00080000000C0CC19E063EC6F2081400A20334674400928C2031A22018D8203EEC980D26E2C4F1DB84B42A66C819CAE807B0D0F30E20400102000240004080020400048000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
2,3-dimethoxypyrido[1,2-b]indazole
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
2,3-dimethoxypyrido[1,2-b]indazole
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
2,3-dimethoxypyrido[1,2-b]indazole
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
2,3-dimethoxypyrido[1,2-b]indazole
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
2,3-dimethoxypyrid[1,2-b]indazole
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C13H12N2O2/c1-16-12-7-9-10(8-13(12)17-2)14-15-6-4-3-5-11(9)15/h3-8H,1-2H3
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
TVRVWAUHSQFPDA-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
228.089878
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C13H12N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
228.24658
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
COC1=CC2=C3C=CC=CN3N=C2C=C1OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
COC1=CC2=C3C=CC=CN3N=C2C=C1OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
35.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
228.089878
17
0
0
0
0
0
0
0
1
1