53383494
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4.2088
4.1043
5.9409
4.9718
4.1671
5.9409
5.9409
5.0749
6.8069
6.8069
5.0749
6.8069
4
3.5
5.0749
7.673
6.8069
7.7009
7.7009
3.5
4.2088
2.5
8.6069
8.539
7.673
8.6069
8.539
2.5
2
3.2953
2.6262
3.1262
6.4778
5.4333
7.673
6.27
7.6937
7.6937
3.81
2.19
9.1427
9.0759
7.673
9.1427
9.0759
2.19
1.38
3.1664
2.0096
2.874
0.1808
3.1753
0.1808
-2.308
-0.9141
2.1808
-0.8192
-1.3192
-1.3192
0.6808
0.6808
1.6808
-2.5172
-1.6511
1.6808
-0.8192
-2.3192
0.1461
2.2154
-3.3832
2.1808
-1.6511
0.6599
-1.3192
-2.8192
1.7016
-2.3192
-3.3832
-2.5172
1.774
2.5172
3.3832
-0.5092
-2.722
-0.1992
-2.6292
-0.4739
2.8354
-3.9201
-1.1142
0.3479
-1.0092
-3.4392
2.0136
-2.6292
-3.9201
-2.5172
1.1676
2.4524
3.9496
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
721
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000001624000003060C100000000005881FC00001E00100000000C2CE19F0631D4B7C99440A803AF72F40482882DA532A00999213E7CD88C6EBECCBD9B963928EEF613C8E9A798C8800E00000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2-furyl)quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2-furanyl)-2-quinoxalinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(furan-2-yl)quinoxalin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(furan-2-yl)quinoxalin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2-furyl)quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C26H18N4O2/c31-26-23(22-15-8-16-32-22)27-20-13-6-7-14-21(20)30(26)24(17-9-2-1-3-10-17)25-28-18-11-4-5-12-19(18)29-25/h1-16,24H,(H,28,29)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
QSZPNIGPXGQTSF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
418.142976
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C26H18N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
418.44672
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
74.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
418.142976
32
1
0
1
0
0
0
0
1
1