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5.2531
3.3426
5.9674
4.6318
3.732
5.9209
4.2746
5.6103
3.9639
6.8994
3.6067
4.3211
4.6783
4.9889
5.2619
3.732
4.6783
6.2619
2.866
2.866
2
2
6.7619
6.7619
7.7619
7.7619
8.2619
6.1135
4.4672
5.6308
6.2241
3.417
3.5814
7.0273
7.5061
6.7716
4.0682
3.1927
3.1453
4.8709
2.866
2.866
1.4631
1.4631
6.4519
6.4519
8.0719
8.0719
8.8819
2.9065
-0.1513
-0.4831
1.0055
-1.9446
2.1622
2.7003
1.2117
1.7498
2.3684
3.4446
0.055
-1.6399
-0.6893
-2.4446
-2.9446
-3.2493
-2.4446
-1.4446
-3.4446
-1.9446
-2.9446
-3.3106
-1.5786
-3.3106
-1.5786
-2.4446
2.7515
3.2896
0.592
1.1243
2.0418
1.2619
1.7618
2.4963
2.9751
3.8587
3.9061
3.0305
-3.8386
-0.8246
-4.0646
-1.6346
-3.2546
-3.8476
-1.0416
-3.8476
-1.0416
-2.4446
8
8
8
5
6
8
8
8
8
8
8
8
8
8
8
8
8
8
5
5
5
6
7
13
15
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13
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
550
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
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
00000371E07B30000000000000000000000000000001600000003C588000000000005801F000001E00000000000C1CE19E063EC0B30C1C00A803B577540082802037022008D821B864D80A20FAC0D5B1872108608600D8C9071889C09E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-(2-phenyl-3-indolizinyl)ethane-1,2-dione
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-[(2S,6S)-2,6-dimethylmorpholino]-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C22H22N2O3/c1-15-13-23(14-16(2)27-15)22(26)21(25)20-19(17-8-4-3-5-9-17)12-18-10-6-7-11-24(18)20/h3-12,15-16H,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
PGBFCRAJEVEKLX-HOTGVXAUSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
362.163043
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C22H22N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
362.42168
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1CN(CC(O1)C)C(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C[C@H]1CN(C[C@@H](O1)C)C(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
51
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
362.163043
27
2
2
0
0
0
0
0
1
1