1928418
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
30
31
32
33
34
35
36
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
1
1
1
1
1
1
1
1
1
1
2
2
2
3
3
4
4
4
5
5
5
6
6
7
7
8
8
8
9
9
9
11
11
12
12
13
13
14
15
15
16
16
16
17
17
4
10
3
10
28
15
31
5
8
9
6
18
19
7
11
10
12
20
21
22
23
24
25
13
26
14
27
14
29
30
16
17
32
33
34
35
36
1
2
1
1
1
1
1
1
1
1
1
1
1
1
2
1
2
1
1
1
1
1
1
1
1
1
1
2
1
1
1
2
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
30
31
32
33
34
35
36
3
3.866
3
3
3.866
4.732
4.732
2.5
2
3.866
5.626
5.626
6.5321
6.5321
3
2.134
3.866
4.2646
3.4675
3.0369
2.19
1.9631
2
1.38
2
5.6188
5.6188
4.403
7.0678
7.0678
2.4631
1.824
1.597
2.444
3.866
4.403
0.817
-0.683
-1.183
1.817
2.317
1.817
0.817
2.683
1.817
0.317
2.3516
0.2823
1.8378
0.7962
-2.183
-2.683
-2.683
2.7919
2.7919
2.993
3.22
2.373
2.437
1.817
1.197
2.9716
-0.3376
-0.993
2.1499
0.4841
-0.873
-2.1461
-2.993
-3.22
-3.303
-2.373
8
8
8
8
8
8
6
6
7
11
12
13
7
11
12
13
14
14
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
330
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E0730000000000000000000000000000000000000000304000000000000000810000001C00180000000C88811800330082620000A0022662640082000120020218A8002004980820A28091118020006090000888071080C00E80000000001000000000000000200000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-isopropenyl-hydrazine
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-(1-methylethenyl)hydrazine
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-prop-1-en-2-ylhydrazine
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-prop-1-en-2-yl-diazane
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-isopropenyl-hydrazine
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H19N3/c1-10(2)16-17-13-12-8-6-5-7-11(12)9-14(3,4)15-13/h5-8,16H,1,9H2,2-4H3,(H,15,17)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
QOGQKQCMGJZENS-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
229.157898
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H19N3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
229.32076
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=C)NNC1=NC(CC2=CC=CC=C21)(C)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=C)NNC1=NC(CC2=CC=CC=C21)(C)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
36.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
229.157898
17
0
0
0
0
0
0
0
1
2