54207181
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255
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7.6995
2.866
2
6.0066
5.4641
6.4103
6.9939
5.4641
6.4103
7.9939
4.5981
4.5981
6.721
3.732
3.732
6.0531
8.4939
8.4939
2.866
6.3638
5.0746
9.4939
9.4939
9.9939
5.696
4.4068
4.7175
2
2
6.6029
4.5981
4.5981
3.1951
8.1839
8.1839
6.9705
4.882
9.8039
9.8039
10.6139
3.8001
4.3034
1.788
1.3894
1.38
2
2.62
5.5926
0.9083
-3.0532
-1.5532
4.0917
-0.5532
-0.2484
-1.0532
-1.5532
-1.8579
-1.0532
-2.0532
-0.0532
0.7021
-1.5532
-0.5532
1.4464
-1.9192
-0.1872
-2.0532
2.3969
1.2402
-1.9192
-0.1872
-1.0532
3.1412
1.9845
2.935
-3.5532
-4.5532
-2.4472
-2.6732
0.5668
-0.2432
-2.4561
0.3498
2.5248
0.6508
-2.4561
0.3498
-1.0532
1.8566
3.3964
-2.9706
-3.6608
-4.5532
-5.1732
-4.5532
4.5532
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
587
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
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07A38000000000000000000000000000001600000003C608000000000005801F400001E00000800000C0CE19E063ECEB30C1E00A803B4F74C0082802037222008D821BE6CD80826F2C2B5BB86710864C011C8F987BED9F39E80000100000000000000020000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 3-(3-hydroxybenzoyl)-2-phenyl-indolizine-7-carboxylate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[(3-hydroxyphenyl)-oxomethyl]-2-phenyl-7-indolizinecarboxylic acid ethyl ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 3-(3-hydroxybenzoyl)-2-phenylindolizine-7-carboxylate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 3-(3-hydroxyphenyl)carbonyl-2-phenyl-indolizine-7-carboxylate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(3-hydroxybenzoyl)-2-phenyl-indolizine-7-carboxylic acid ethyl ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H19NO4/c1-2-29-24(28)18-11-12-25-19(13-18)15-21(16-7-4-3-5-8-16)22(25)23(27)17-9-6-10-20(26)14-17/h3-15,26H,2H2,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
PTHUUCYRNSQHGE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
5.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
385.131408
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H19NO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
385.41196
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC(=O)C1=CC2=CC(=C(N2C=C1)C(=O)C3=CC(=CC=C3)O)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC(=O)C1=CC2=CC(=C(N2C=C1)C(=O)C3=CC(=CC=C3)O)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
68
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
385.131408
29
0
0
0
0
0
0
0
1
3