5280443
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8
8
8
8
8
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
2
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7
8
12
28
10
14
29
20
30
7
10
12
13
9
11
16
17
11
21
15
14
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15
23
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24
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25
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20
27
1
1
1
1
2
1
1
1
1
1
1
2
2
1
2
2
1
1
1
1
1
1
2
1
1
1
2
1
2
1
1
1
1
5
255
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6.8671
8.6155
6.8671
10.3972
2.5369
7.7331
7.7331
6.001
5.135
6.8671
6.001
8.627
8.627
9.5331
9.5331
5.135
4.269
4.269
3.403
3.403
5.4641
8.6199
10.0688
5.672
4.269
4.269
2.866
9.1488
10.9353
2
0.9254
-2.1092
-2.0746
0.9495
2.4254
-0.5746
0.4254
0.4254
0.9254
-1.0746
-0.5746
-1.1093
0.9601
0.4462
-0.5954
1.9254
0.4254
2.4254
0.9254
1.9254
-0.8846
1.58
-0.9075
2.2354
-0.1946
3.0454
0.6154
-2.4254
0.6416
2.1154
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
6
6
6
7
8
9
9
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12
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16
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19
7
8
7
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13
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16
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20
20
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
411
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
3
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0703800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098003006800006008802A05200000208002420000888010608C80C273686351A827960A5E01508B90788ECACCE20000008000800004000001000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
5,7-dihydroxy-2-(4-hydroxyphenyl)chromone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
KZNIFHPLKGYRTM-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
1.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
270.052823
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C15H10O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
270.2369
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
87
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
270.052823
20
0
0
0
0
0
0
0
1
57