9561322
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6
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38
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27
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2
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1
1
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1
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1
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1
1
1
1
1
5
-1
7
23
11
33
3
1
6
-1
8
24
34
12
2
1
7
-1
5
25
9
26
1
1
8
-1
6
26
10
25
1
1
1
5
255
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2
9.7942
3.732
11.5263
4.5981
7.1962
4.5981
7.1962
5.4641
6.3301
3.732
8.9282
2.866
4.5981
8.9282
9.7942
2.866
4.5981
9.7942
10.6603
3.732
10.6603
3.732
8.0622
5.4641
6.3301
2.3291
5.135
8.3913
9.7942
5.135
11.1972
3.1951
8.0622
4.9272
6.001
6.8671
5.7932
-3.06
0.44
-4.06
1.44
0.44
2.94
1.44
1.94
2.94
0.44
-1.06
2.94
-1.56
-1.56
1.94
3.44
-2.56
-2.56
1.44
2.94
-3.06
1.94
-0.06
3.44
1.94
1.44
-1.25
-1.25
1.63
4.06
-2.87
3.25
0.25
4.06
3.25
3.25
0.13
0.13
1
8
8
8
8
8
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8
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8
5
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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
529
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B8000070000000000000000000000000000000000306000000000000000014000001C02180000000C02C11824310080400000A00232632000020000200500088A402002980860A28113108020002080000888070080000E04000020000000040800004000000008000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N1'-[(3,4-dichlorophenyl)methyleneamino]-N2'-[(Z)-(3,4-dichlorophenyl)methyleneamino]oxalamidine
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N1'-[(3,4-dichlorophenyl)methylideneamino]-N2'-[(Z)-(3,4-dichlorophenyl)methylideneamino]ethanediimidamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-N'-[(3,4-dichlorophenyl)methylideneamino]-2-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]ethanediimidamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N1'-[(3,4-dichlorophenyl)methylideneamino]-N2'-[(Z)-(3,4-dichlorophenyl)methylideneamino]ethanediimidamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N1'-[(3,4-dichlorobenzylidene)amino]-N2'-[(Z)-(3,4-dichlorobenzylidene)amino]oxalamidine
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H12Cl4N6/c17-11-3-1-9(5-13(11)19)7-23-25-15(21)16(22)26-24-8-10-2-4-12(18)14(20)6-10/h1-8H,(H2,21,25)(H2,22,26)/b23-7-,24-8?
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
XGEHGWDFEFMGAJ-MULNSITRSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
429.984805
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H12Cl4N6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
430.11868
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC(=C(C=C1C=NN=C(C(=NN=CC2=CC(=C(C=C2)Cl)Cl)N)N)Cl)Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC(=C(C=C1C=N/N=C(\C(=N/N=C\C2=CC(=C(C=C2)Cl)Cl)\N)/N)Cl)Cl
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
102
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
427.987755
26
0
0
0
4
3
1
0
1
3