60107100
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13.2331
5.4641
8.6512
8.0622
8.0622
9.0084
9.0084
9.592
7.1962
7.1962
6.3301
9.3191
6.3301
10.2976
4.5981
3.732
10.6082
10.9654
3.732
2.866
11.5867
11.9439
12.2546
2.866
2
2
9.201
10.212
7.1962
7.1962
5.7932
4.9966
4.1996
10.1942
10.7728
4.269
2.866
11.7793
12.358
2.866
1.4631
1.4631
2.271
-1.3091
2.1904
0.1909
-0.8091
0.4956
-1.1138
-0.3091
-1.3091
0.6909
-0.8091
1.4462
0.1909
1.6524
-0.8091
-1.3091
2.6029
0.9081
-2.3091
-0.8091
2.8091
1.1143
2.0648
-2.8091
-1.3091
-2.3091
-1.7032
-0.3091
-1.9291
1.3109
0.5009
-0.3342
-0.3342
3.0644
0.3187
-2.6191
-0.1891
3.3984
0.6528
-3.4291
-0.9991
-2.6191
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0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
471
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07A31000000000000000000000000000001600000003C608000000000005801F400001F00000000000C0CE19E0E3CC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB863928E6C019C8E98798C9E09E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(7-benzyloxyindolizin-3-yl)-(4-fluorophenyl)methanone
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4-fluorophenyl)-(7-phenylmethoxy-3-indolizinyl)methanone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4-fluorophenyl)-(7-phenylmethoxyindolizin-3-yl)methanone
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4-fluorophenyl)-(7-phenylmethoxyindolizin-3-yl)methanone
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(7-benzoxyindolizin-3-yl)-(4-fluorophenyl)methanone
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C22H16FNO2/c23-18-8-6-17(7-9-18)22(25)21-11-10-19-14-20(12-13-24(19)21)26-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
IOFIHTOINXZWDM-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
5.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
345.116507
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C22H16FNO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
345.366343
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)COC2=CC3=CC=C(N3C=C2)C(=O)C4=CC=C(C=C4)F
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)COC2=CC3=CC=C(N3C=C2)C(=O)C4=CC=C(C=C4)F
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
30.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
345.116507
26
0
0
0
0
0
0
0
1
1