123069
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
8
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
2
2
2
3
3
3
4
5
5
6
6
7
7
8
8
9
9
10
10
11
11
12
12
13
14
15
4
5
7
4
6
8
15
9
16
10
17
11
18
12
19
13
20
14
21
13
22
14
23
24
25
2
1
2
1
1
2
1
2
1
1
1
1
2
1
2
1
2
1
2
1
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
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22
23
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25
2
3.732
4.5981
3.732
2.866
5.4641
4.5981
4.5981
2.866
6.3301
4.5981
5.4641
3.732
6.3301
2.866
2.3291
5.4641
5.135
4.0611
2.3291
6.8671
5.135
5.4641
3.732
6.8671
1.5
-0.5
1
0.5
-1
0.5
-1
2
-2
1
-2
2.5
-2.5
2
1
-0.69
-0.12
-0.69
2.31
-2.31
0.69
-2.31
3.12
-3.12
2.31
8
8
8
8
8
8
8
8
8
8
8
8
2
2
3
3
5
6
7
8
9
10
11
12
5
7
6
8
9
10
11
12
13
14
13
14
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
218
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
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
00000371C0702000000000000000000000000000000000000000306000000000000000014000001A00000000000C008098003000800000008802205200000200002000000888000000880820228011108020002080000888070080C00E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2-diphenylethenone
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2-diphenylethenone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2-diphenylethenone
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2-diphenylethenone
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,2-diphenylethenone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H10O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
ZWJPCOALBPMBIC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
194.073165
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H10O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
194.2286
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C(=C=O)C2=CC=CC=C2
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C(=C=O)C2=CC=CC=C2
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
17.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
194.073165
15
0
0
0
0
0
0
0
1
1