5281614
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8
8
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8
6
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6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
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7
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28
12
17
29
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31
10
11
9
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22
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27
1
1
1
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2
1
1
1
1
1
1
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2
2
1
1
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5
255
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6.8671
5.135
6.8671
10.3972
4.269
2.5369
6.001
7.7331
7.7331
5.135
6.001
6.8671
8.627
8.627
5.135
4.269
9.5331
9.5331
4.269
3.403
3.403
8.6199
8.6199
5.672
4.269
10.0688
2.866
5.135
10.9353
3.732
2
0.095
-1.905
-2.905
0.1192
2.595
1.595
-0.405
-1.405
-0.405
0.095
-1.405
-1.905
-1.9397
0.1297
1.095
-0.405
-0.3842
-1.4258
1.595
0.095
1.095
-2.5596
0.7496
1.405
-1.025
-1.7379
-0.215
-2.525
-0.1888
2.905
1.285
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
7
8
8
8
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7
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
459
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
00000371C0703800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098003006800006008802A05200020208002420000888014688C80D273686351A827961A5E01509B987C8ECBCCE20000108000840004000021000108000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-1-benzopyran-4-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[3,4-bis(oxidanyl)phenyl]-3,7-bis(oxidanyl)chromen-4-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
XHEFDIBZLJXQHF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
286.047738
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C15H10O6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
286.2363
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
107
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
286.047738
21
0
0
0
0
0
0
0
1
211