4457913
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1
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1
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15
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40
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25
7
8
12
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1
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1
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5
255
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2.866
6.3638
10.9939
5.0746
6.4103
5.4641
6.4103
5.4641
6.9939
4.5981
6.721
4.5981
7.9939
3.732
3.732
4.5981
8.4939
8.4939
6.0531
9.4939
9.4939
9.9939
2
11.4939
6.6029
7.2679
7.1035
4.5981
3.1951
3.9781
4.5981
5.2181
8.1839
8.1839
9.8039
9.8039
1.69
1.4631
2.31
5.9497
10.957
11.8039
12.0309
0.0442
2.4943
-0.9558
1.3376
-1.7605
-0.4558
-0.151
-1.4558
-0.9558
-1.9558
0.7995
0.0442
-0.9558
-1.4558
-0.4558
-2.9558
-1.8218
-0.0897
1.5438
-1.8218
-0.0897
-0.9558
-0.4558
-1.8218
-2.3498
0.5075
1.2874
0.6642
-1.7658
-2.9558
-3.5758
-2.9558
-2.3587
0.4472
-2.3587
0.4472
0.0812
-0.7658
-0.9927
2.9558
-2.1318
-2.3587
-1.5118
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
5
5
6
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6
7
8
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21
8
9
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12
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14
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21
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22
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
435
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
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07A380000000000000000000000000000016000000030600000000000005801F400001E00100800000C0C819E0232CEF2C99600A80324F24C00828820212020089921264C980C26F2C4B59B84702864C011C8E807BCD9F39EA0400300000200004080060000040000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[5-methoxy-2-(4-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[5-methoxy-2-(4-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[5-methoxy-2-(4-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[5-methoxy-2-(4-methoxyphenyl)-7-methyl-1H-indol-3-yl]ethanoic acid
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[5-methoxy-2-(4-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H19NO4/c1-11-8-14(24-3)9-15-16(10-17(21)22)19(20-18(11)15)12-4-6-13(23-2)7-5-12/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SCTJGQWCEHFVHX-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
325.131408
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H19NO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
325.35846
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C2C(=CC(=C1)OC)C(=C(N2)C3=CC=C(C=C3)OC)CC(=O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C2C(=CC(=C1)OC)C(=C(N2)C3=CC=C(C=C3)OC)CC(=O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
71.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
325.131408
24
0
0
0
0
0
0
0
1
1