10614
1
2
3
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5
6
7
8
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10
11
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14
15
16
17
18
19
20
21
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29
30
31
32
33
34
35
6
6
6
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
1
1
1
1
1
1
2
2
3
3
4
4
5
5
6
6
7
7
8
8
9
9
10
10
11
11
12
12
13
13
14
14
15
15
16
16
17
18
19
2
3
4
20
7
10
6
9
5
8
11
21
12
22
13
23
14
24
15
25
16
26
19
27
18
28
17
29
19
30
18
31
17
32
34
33
35
1
1
1
1
2
1
2
1
2
1
1
1
1
1
1
1
2
1
2
1
2
1
2
1
2
1
2
1
1
1
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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19
20
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34
35
4.5981
4.5981
5.4641
3.732
3.732
6.3301
3.732
2.866
5.4641
5.4641
2.866
7.1962
3.732
2
6.3301
5.4641
4.5981
7.1962
2
4.5981
4.269
6.3301
3.1951
2.866
4.9272
6.001
2.866
7.7331
3.1951
1.4631
6.3301
6.001
7.7331
4.5981
1.4631
0.5
-0.5
1
1
2
0.5
-1
0.5
2
-1
2.5
1
-2
1
2.5
-2
-2.5
2
2
1.12
2.31
-0.12
-0.69
-0.12
2.31
-0.69
3.12
0.69
-2.31
0.69
3.12
-2.31
2.31
-3.12
2.31
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
2
2
3
3
4
4
5
6
7
8
9
10
11
12
13
14
15
16
7
10
6
9
5
8
11
12
13
14
15
16
19
18
17
19
18
17
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
196
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
0
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07800000000000000000000000000000000000000003060C0000000000000015000001800000000000D008018003000800000008002204200000200002000000888000000880820228011108020002080000888070080C00E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
benzhydrylbenzene
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(diphenylmethyl)benzene
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
benzhydrylbenzene
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(diphenylmethyl)benzene
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
benzhydrylbenzene
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
AAAQKTZKLRYKHR-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
5.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
244.125201
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H16
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
244.33034
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
0
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
244.125201
19
0
0
0
0
0
0
0
1
1