15881632
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5.9674
9.2619
3.732
4.6783
5.2619
3.732
4.6783
6.2619
4.9889
2.866
2.866
4.3211
2
6.7619
6.7619
2
7.7619
7.7619
8.2619
4.6318
3.3426
3.9639
2.6747
2.9854
9.7619
4.8709
2.866
2.866
6.4519
6.4519
1.4631
1.4631
8.0719
8.0719
5.2384
3.15
4.1565
2.0681
2.5713
9.2249
10.0719
10.2988
0.3643
-1.5972
-1.0972
-0.7925
-1.5972
-2.0972
-2.4019
-1.5972
0.1581
-0.5972
-2.5972
0.9024
-1.0972
-2.4632
-0.7312
-2.0972
-2.4632
-0.7312
-1.5972
1.8529
0.6961
2.5972
1.4404
2.391
-2.4632
-2.9912
0.0228
-3.2172
-3.0002
-0.1942
-0.7872
-2.4072
-3.0002
-0.1942
1.9807
0.1068
3.1865
1.3126
2.8524
-2.7732
-3.0002
-2.1532
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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
451
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
00000371E07A30000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CC19E063EC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB84312864C011C8E98798C9F09EA0000000000000004000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
[2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
[2-(4-methoxyphenyl)-3-indolizinyl]-phenylmethanone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
[2-(4-methoxyphenyl)indolizin-3-yl]-phenylmethanone
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
[2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
[2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C22H17NO2/c1-25-19-12-10-16(11-13-19)20-15-18-9-5-6-14-23(18)21(20)22(24)17-7-3-2-4-8-17/h2-15H,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
FKOCDTUQPNAICE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
5.8
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
COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C4=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