5281618
1
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8
8
8
8
8
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
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21
6
9
16
21
11
17
29
19
30
8
10
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11
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14
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11
22
16
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18
25
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1
1
1
1
2
1
1
1
1
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2
1
1
2
1
1
1
1
1
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2
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1
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1
5
255
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6.3301
2
6.3301
9.8602
2
5.4641
7.1962
4.5981
7.1962
5.4641
6.3301
3.732
8.0901
4.5981
8.0901
2.866
8.9962
8.9962
2.866
3.732
2
4.9272
3.732
5.135
8.0829
8.0829
9.5319
3.732
10.3984
2
2.62
2
1.38
-0.44
0.06
2.56
-0.4642
-1.94
0.06
1.06
-0.44
0.06
1.06
1.56
0.06
1.5947
-1.44
-0.4747
-0.44
0.0392
1.0808
-1.44
-1.94
1.06
1.37
0.68
-1.75
2.2146
-1.0946
1.3929
-2.56
-0.1562
-2.56
1.06
1.68
1.06
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
6
7
7
7
8
8
9
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19
6
9
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20
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
432
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
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
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0783800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098023206800006008802A05200000208002420000888010688C80D273686351A827963A5E0150BB987C8ECBCCE20000108000840004000021000108000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
7-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(3-methoxy-4-oxidanyl-phenyl)-7-oxidanyl-chromen-4-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
7-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
OUMMPAFEQHTYIZ-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
284.068473
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H12O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
284.26348
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
76
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
284.068473
21
0
0
0
0
0
0
0
1
29