17548528
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4.3211
7.5673
3.732
4.6783
3.732
5.2619
4.6783
4.9889
2.866
2.866
6.2619
5.9674
2
2
6.2781
6.6353
7.2566
7.6138
7.9244
8.5458
9.2136
8.8564
10.1921
9.8349
10.5028
4.8709
2.866
2.866
6.2619
6.8819
6.2619
1.4631
1.4631
5.864
6.4427
8.0279
8.5311
9.021
8.4424
10.6062
10.0276
11.1095
0.2837
1.8529
-1.7158
-1.4111
-2.7158
-2.2158
-3.0206
-0.4606
-1.2158
-3.2158
-2.2158
-0.2544
-1.7158
-2.7158
0.6961
-0.9987
0.9024
-0.7925
0.1581
2.0591
1.3148
3.0096
1.521
3.2158
2.4715
-3.6099
-0.5958
-3.8358
-2.8358
-2.2158
-1.5958
-1.4058
-3.0258
1.1576
-1.588
-1.2539
0.2859
0.7255
3.4711
1.0596
3.8052
2.5994
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
459
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
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07A30000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CC19E043EC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB863928E4C011C8E9879AD9F39E00000100000000000000020000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2-methylindolizin-3-yl)-(3-phenoxyphenyl)methanone
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2-methyl-3-indolizinyl)-(3-phenoxyphenyl)methanone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2-methylindolizin-3-yl)-(3-phenoxyphenyl)methanone
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2-methylindolizin-3-yl)-(3-phenoxyphenyl)methanone
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2-methylindolizin-3-yl)-(3-phenoxyphenyl)methanone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C22H17NO2/c1-16-14-18-9-5-6-13-23(18)21(16)22(24)17-8-7-12-20(15-17)25-19-10-3-2-4-11-19/h2-15H,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
PENUKLVKGXAWBK-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
6.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
327.125929
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C22H17NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
327.37588
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
30.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
327.125929
25
0
0
0
0
0
0
0
1
1