6018993
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255
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2.866
2.866
7.1962
5.4641
5.4641
4.5981
4.5981
3.732
3.732
4.5981
2.866
5.4641
2.866
3.732
5.4641
2
6.3301
6.3301
3.732
7.1962
2
5.6762
6.0747
4.1996
4.9966
6.0747
5.6762
2.3291
4.0611
4.269
4.9272
1.4631
6.3301
4.269
6.3301
1.4631
7.7331
1
-4
3.5
-0.5
0.5
-1
1
-0.5
0.5
2
-1
2.5
-2
-2.5
3.5
-2.5
2
4
-3.5
2.5
-3.5
-1.0826
-0.3923
-1.475
-1.475
0.3923
1.0826
-0.69
2.31
-2.19
3.81
-2.19
1.38
-3.81
4.62
-3.81
2.19
8
8
8
8
8
8
8
8
8
8
8
8
2
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3
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0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
389
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
00000371E07B20000000000000000000000000000000000000003C588000000000000001E000001E00000000000C04C19A043C8092081000A802B077440082802031022008D8213864D8082072C09191842008608000C8C9871808000A00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2E,6E)-2,6-bis(4-pyridylmethylene)cyclohexanone
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2E,6E)-2,6-bis(pyridin-4-ylmethylidene)-1-cyclohexanone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2E,6E)-2,6-bis(pyridin-4-ylmethylidene)cyclohexan-1-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2E,6E)-2,6-bis(pyridin-4-ylmethylidene)cyclohexan-1-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2E,6E)-2,6-bis(4-pyridylmethylene)cyclohexanone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H16N2O/c21-18-16(12-14-4-8-19-9-5-14)2-1-3-17(18)13-15-6-10-20-11-7-15/h4-13H,1-3H2/b16-12+,17-13+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
CYVVJSKZRBZHAV-UNZYHPAISA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
276.126263
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C18H16N2O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
276.33244
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1CC(=CC2=CC=NC=C2)C(=O)C(=CC3=CC=NC=C3)C1
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1C/C(=C\C2=CC=NC=C2)/C(=O)/C(=C/C3=CC=NC=C3)/C1
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
42.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
276.126263
21
0
0
0
2
2
0
0
1
1