441075
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6.28
8.9441
4.0731
5.414
3.5731
4.548
3.582
6.2638
2
6.005
2.5
5.414
7.1298
5.414
6.28
7.9958
4.548
6.28
7.174
4.548
7.174
8.08
8.08
3.7836
5.2298
3.691
2.9646
6.1499
1.6444
1.4771
5.8445
6.6039
1.9771
2.8556
5.414
7.1298
6.817
7.9958
8.5328
4.011
7.1668
4.011
7.1668
8.6158
9.4822
-0.1609
1.315
-2.1667
3.3391
-1.3007
-0.1609
0.0979
-1.7184
-2.5078
-2.6843
-3.3738
0.3391
-1.2184
1.3391
1.8391
-1.7184
1.8391
2.8391
1.3045
2.8391
3.3738
1.8183
2.8599
-2.1242
-0.6684
0.7083
0.1546
-1.109
-1.9999
-2.8409
-3.2832
-2.8448
-3.7069
-3.8817
-0.2809
-0.5984
0.1491
-2.3384
-1.4084
1.5291
0.6845
3.1491
3.9938
3.172
1.6229
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13
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23
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
443
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
00000371E07B30000000000000000000000000000000000000003C58B1620000000000B1F000001E00000800000D3CE19E063CC6F3081200A0033467440082802031222008D8203E6C980A36E2C2919384700864C011D8D807B0E0F40E80400100000200000080020000040000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[(R)-hydroxy-[(2S,5R)-5-vinylquinuclidin-2-yl]methyl]quinolin-6-ol
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]-6-quinolinol
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-oxidanyl-methyl]quinolin-6-ol
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-[(R)-hydroxy-[(2S,5R)-5-vinylquinuclidin-2-yl]methyl]quinolin-6-ol
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13?,18-,19+/m0/s1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
VJFMSYZSFUWQPZ-BPBOJLQBSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
310.168128
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H22N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
310.39018
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C=C[C@H]1CN2CCC1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
56.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
310.168128
23
4
3
1
0
0
0
0
1
3